AG00FBZE

71825-51-9 | 2-methyl-2-(4-nitrophenyl)propanenitrile

AG00FBZE

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CAS Number	71825-51-9
Catalog Number	AG00FBZE(AGN-PC-0TZDM9)
Chemical Name	2-methyl-2-(4-nitrophenyl)propanenitrile
IUPAC Name	2-methyl-2-(4-nitrophenyl)propanenitrile
InChI	InChI=1S/C10H10N2O2/c1-10(2,7-11)8-3-5-9(6-4-8)12(13)14/h3-6H,1-2H3
InChI Key	XZVURMRLCAFELZ-UHFFFAOYSA-N
MDL Number	MFCD00844930
Molecular Formula	C10H10N2O2
Molecular Weight	190.1986
SMILES	CC(C1=CC=C([N+]([O-])=O)C=C1)(C)C#N
Synonyms	2-methyl-2-(4-nitrophenyl)propanenitrile, 71825-51-9, 2-Methyl-2-(4-nitrophenyl)propionitrile, AC1LGLXE, 2-methyl-2-(4-nitrophenyl)propanonitril, ACMC-209okb, SCHEMBL395484, AC1Q1Z52, AMBZ0316, CTK7C5082, DTXSID60356414, XZVURMRLCAFELZ-UHFFFAOYSA-N, ZINC341725, CS-B0354, ANW-36105, MFCD00844930, AKOS006272838, AM85889, AN-1462, MCULE-5521729700, PB19893, WT81708, KS-000006V6, 2-{4-nitrophenyl}-2-methylpropanenitrile, AJ-19946, AK-46907, CJ-02996, DS-14157, 2-methyl-2-(4-nitro-phenyl)-propionitrile, 2-methyl-2-(4-nitrophenyl) propanenitrile, TC-124850, 4CH-000203, FT-0658087, ST24040825, V7468, Q-1355, A837337, AG-670/36154045, BENZENEACETONITRILE, A,A-DIMETHYL-4-NITRO-, S01-0108, C10H10N2O2, AR-1E3411, CID823615, ZINC00341725, ACN-051452, 7251-60-7,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.202g/mol
Monoisotopic Mass	190.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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