AG00FD7U

71516-35-3 | 2-Methyl-3-nitrobenzonitrile

AG00FD7U

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CAS Number	71516-35-3
Catalog Number	AG00FD7U(AGN-PC-0NJDTM)
Chemical Name	2-Methyl-3-nitrobenzonitrile
IUPAC Name	2-methyl-3-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,1H3
InChI Key	FTFQRHBFTRLIND-UHFFFAOYSA-N
MDL Number	MFCD09025714
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	CC1=C(C=CC=C1[N+]([O-])=O)C#N
Synonyms	2-METHYL-3-NITROBENZONITRILE, 71516-35-3, Benzonitrile,2-methyl-6-nitro-, Benzonitrile, 2-methyl-3-nitro-, 3-Cyano-2-methylnitrobenzene, KSC539Q3T, SCHEMBL1343814, CTK4D9839, DTXSID90502326, FTFQRHBFTRLIND-UHFFFAOYSA-N, 1104AC, ANW-55946, MFCD09025714, ZINC39245885, AKOS006291552, BENZONITRILE,2-METHYL-3-NITRO-, AJ-99339, CJ-19876, SC-13191, DB-000565, DB-021335, TR-023517, FT-0682181, I01-13639, Z2235790678, 6-Nitro-2-toluonitrile, C8H6N2O2, 1885-76-3,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310+P330-P305+P351+P338-P312
UN Code	UN 3439

Certificate of Analysis

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