AG006A4P

939-79-7 | 4-Methyl-3-nitrobenzonitrile

AG006A4P

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CAS Number	939-79-7
Catalog Number	AG006A4P(AGN-PC-0JTDYT)
Chemical Name	4-Methyl-3-nitrobenzonitrile
IUPAC Name	4-methyl-3-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3
InChI Key	KOFBNBCOGKLUOM-UHFFFAOYSA-N
MDL Number	MFCD00031482
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	N#CC1=CC=C(C)C([N+]([O-])=O)=C1
Synonyms	4-Methyl-3-nitrobenzonitrile, 939-79-7, 3-nitro-4-methylbenzonitrile, 3-Nitro-p-tolunitrile, 4-Methyl-3-nitro-benzonitrile, Benzonitrile, 4-methyl-3-nitro-, 4-Cyano-2-nitrotoluene, 4-methyl-3-nitrobenzenecarbonitrile, 5-Cyano-2-methylnitrobenzene, 2-NITRO-P-TOLUONITRILE, KOFBNBCOGKLUOM-UHFFFAOYSA-N, 4-Methyl-3-nitrobenzonitrile, 97%, MFCD00031482, PubChem4817, ACMC-209gtb, AC1LBUQ4, 3-Nitro-4-methylbenzonitril, KSC490M7N, SCHEMBL323126, 3-nitro-4-methyl benzonitrile, 4-methyl-3-nitro benzonitrile, BEN166, CTK3J0676, KS-00000NDJ, 1-methyl-4-cyano-2-nitrobenzene, DTXSID70343370, ACT12417, ZINC2571429, ANW-26061, CN-108, SBB055291, STL367706, AKOS000447038, AC-4101, AM61701, AS02389, CM13139, CS-W002158, MCULE-2802666884, PS-5268, RP22492, RTR-029373, TF10220, VZ27141, AJ-41901, AK-36935, AN-12296, BC201406, CJ-09915, L555, SC-46474, SY017139, AB0014772, DB-006507, ST2411533, TL8005942, TR-029373, 4CH-015407, FT-0601289, M1946, ST50408361, M-2994, AB-337/25021030, I01-1419, J-512965, InChI=1/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H, C8H6N2O2, CID589333, ZINC02571429, ACN-056066, A15979, 4-Methyl-3-nitrobenzonitrile, 98% - 25G 25g,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number