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[Angene] 100-13-0 | 4-Nitrostyrene(stabilizedwithTBC)

Cat-No. AG00005V


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100-13-0 | 4-Nitrostyrene(stabilizedwithTBC)



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AG00005V



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CAS Number100-13-0
Catalog NumberAG00005V(AGN-PC-014QBJ)
Chemical Name4-Nitrostyrene(stabilizedwithTBC)
IUPAC Name1-ethenyl-4-nitrobenzene
InChIInChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InChI KeyYFZHODLXYNDBSM-UHFFFAOYSA-N
MDL NumberMFCD00041254
Molecular FormulaC8H7NO2
Molecular Weight149.1467
SMILESC=CC1=CC=C([N+]([O-])=O)C=C1
Synonyms
4-Nitrostyrene, 1-Nitro-4-vinylbenzene, 100-13-0, p-Nitrostyrene, 1-Ethenyl-4-nitrobenzene, Benzene, 1-ethenyl-4-nitro-, CCRIS 1674, STYRENE, p-NITRO-, Benzene, 1-ethenyl-4-nitro- (9CI), YFZHODLXYNDBSM-UHFFFAOYSA-N, MFCD00041254, nitrovinylbenzene, 4-nitro-styrene, p-nitrophenylethylene, ACMC-20amc0, AC1L1OUY, AC1Q5AQG, 1-Nitro-4-vinyl-benzene, SCHEMBL125083, CHEMBL164351, Jsp000061, CTK5J3525, DTXSID70142845, ZINC153489, KS-00000O7W, 4-Nitrostyrene(Stabilized With Tbc), SBB086621, AKOS004906720, AKOS015967330, CS-W004451, MCULE-5796730918, RP09973, RTR-000043, AJ-13005, AK135882, LS-147228, ST2403487, TR-000043, 4CH-018726, FT-0619301, N0503, Z2333, 9T-0616, J-505029, J-640226, J-800227, I01-12543, InChI=1/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H, Ethyl 3-benzoylacrylate, Benzene,1-ethenyl-4-nitro-, C8H7NO2, CID7481, C8-H7-N-O2, 4-Nitrostyrene, 95% - 1G 1g, AR-1C4882, 100504-83-4,


Complexity154
Compound Is CanonicalizedYes
Covalently-Bonded Unit Count1
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Exact Mass149.048g/mol
Formal Charge0
Heavy Atom Count11
Hydrogen Bond Acceptor Count2
Hydrogen Bond Donor Count0
Isotope Atom Count0
Molecular Weight149.149g/mol
Monoisotopic Mass149.048g/mol
Rotatable Bond Count1
Topological Polar Surface Area45.8A^2
Undefined Atom Stereocenter Count0
Undefined Bond Stereocenter Count0
XLogP32.8


GHS Hazard and Precautionary Statements
Symbol:
Hazard statementsH302-H315-H319-H335
Precuationary statementsP261-P305+P351+P338
Siginal words



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