AG002GXJ

1885-76-3 | Benzonitrile, 2-methyl-6-nitro-

AG002GXJ

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CAS Number	1885-76-3
Catalog Number	AG002GXJ(AGN-PC-0JLBRQ)
Chemical Name	Benzonitrile, 2-methyl-6-nitro-
EC Number	217-553-0
IUPAC Name	2-methyl-6-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
InChI Key	BOTPDHNZLRJZOO-UHFFFAOYSA-N
MDL Number	MFCD12783994
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	N#CC1=C([N+]([O-])=O)C=CC=C1C
Synonyms	2-Methyl-6-nitrobenzonitrile, 1885-76-3, 6-Nitro-2-toluonitrile, 6-Nitro-o-tolunitrile, Benzonitrile, 2-methyl-6-nitro-, BOTPDHNZLRJZOO-UHFFFAOYSA-N, EINECS 217-553-0, PubChem16895, 2-cyano-3-nitrotoluene, AC1L2MER, ACMC-1BQJ8, AC1Q4R7M, 2-Cyano-3-methylnitrobenzene, SCHEMBL700631, Jsp003869, BOTPDHNZLRJZOO-UHFFFAOYSA-, DTXSID90172205, 6-methyl-2-nitrobenzenecarbonitrile, KS-00000ZM8, ZINC1995122, 2-Methyl-6-nitrobenzonitrile, 98%, ANW-23401, MFCD00007266, SBB087582, AKOS006222742, AJ-32263, CJ-30773, AB0002222, ST2404497, TC-112146, FT-0633895, M0867, W4066, W-6189, AE-562/43459835, W-107753, I14-11376, InChI=1/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3, o-Tolunitrile, 6-nitro-, C8H6N2O2, C8-H6-N2-O2, CID74669, AR-1K9285, ZINC01995122, 69095-81-4,

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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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