WHC is still in active development. Read this to understand our approach.
depiction of PIAOLBVUVDXHHL-UHFFFAOYSA-N.svg
isomerdesign

β-Nitrostyrene

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pubchem

trans-beta-Nitrostyr...

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Data

InChI: InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H

Synonyms: BB 0218327,.omega.-Nitrostyrene,NSC-9809,3-Amino-2-norbornanecarboxylicacid,trans-?-Nitrostyrene,AMBZ0185,CAS-5153-67-3,AF-961/00496050,.beta.-Nitrostyrene,trans-4-(2-Nitroethenyl)benzene,(E)-?-Nitrostyrene,NCGC00091093-03,DSSTox_RID_79057,A871246,[(E)-2-nitrovinyl]benzene,BCP12490,Styrene and beta-nitrostyrene mixture,NSC 9809,beta-Nitrosytrene,Styrene, beta-nitro,1-Phenyl-2-nitroethene,(E)-(2-Nitroethenyl)benzene,BP-10983,5153-67-3,Styrene, .beta.-nitro-, (E)-,AM85798,4-05-00-01352 (Beilstein Handbook Reference),AI3-16827,NITROSTYRENE, BETA,(E)-beta-Nitrostyrene,EN300-55518,NCGC00258326-01,2-nitroethenylbenzene,Styrene, beta-nitro-, (E)-,.beta.-Nitrosytrene,2-PHENYL-1-NITROETHENE,AKOS005207248,DS-2755,DTXSID6033247,5287E3OUAV,1-Nitro-2-phenylethylene,HSDB 8046,((E)-2-nitro-vinyl)-benzene,(E)-(2-nitrovinyl)-benzene,(E)-(2-Nitrovinyl)benzene,AKOS017269762,Q15633930,Styrene, .beta.-nitro-,NCI-C02211,NITROSTYRENE, BETA-,CCRIS 482,(trans)-beta-Nitrostyrene,D72576,MFCD00007402,(E)-2-Nitroethenylbenzene,Benzene, (2-nitroethenyl)-, (E)-,1-(2-nitrovinyl)benzene,trans-b-Nitrostyrene,NCGC00091093-02,3-05-00-01180 (Beilstein Handbook Reference),SCHEMBL30590,trans-beta-Nitrostyrene, 99%,AMY12555,I(2)-Nitrostyrol,Trans Beta Nitrostyrene,CHEMBL230156,Tox21_200772,EN300-342539,UNII-5287E3OUAV,LS-13407,trans beta-nitrostyrene,EINECS 203-066-0,BRN 2042432,NS8,NCGC00091093-04,NITROSTYRENE, .BETA.,N0941,2-Nitro-1-phenylethylene,BRN 1210066,trans-1-Nitro-2-phenylethylene,trans-nitrostyrene,BETA-NITROSTYRENE,(E)-1-NITRO-2-PHENYLETHYLENE,omega-Nitrostyrene,DSSTox_GSID_33247,[(E)-2-Nitroethenyl]benzene,Benzene, (2-nitroethenyl)-,.BETA.-NITROSTYRENE, (E)-,ZINC1700197,102-96-5,1-[(E)-2-nitro-1-ethenyl]benzene,1-((E)-2-nitrovinyl)benzene,ANM102154,(2-Nitrovinyl)benzene,Benzene, [(1E)-2-nitroethenyl]-,Styrene, beta-nitro-,trans-ss-Nitrostyrene,β-Nitrostyrene,NSC9809,BDBM50504465,CS-0031474,(2-nitroethenyl)benzene,A800654,WLN: WN1U1R,2'-Nitrostyrene,trans-.beta.-Nitrostyrene,DSSTox_CID_1285,.gamma.-Nitrostyrene,NITROSTYRENE, TRANS-BETA-,trans- beta -Nitrostyrene,Nitrostyrene (Related),NCGC00091093-01

Estimated data

Solubility: -2.336 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 57.4% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.