AG003HNO

939-83-3 | 2-Methyl-5-nitrobenzonitrile

AG003HNO

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CAS Number	939-83-3
Catalog Number	AG003HNO(AGN-PC-0JQ8V6)
Chemical Name	2-Methyl-5-nitrobenzonitrile
IUPAC Name	2-methyl-5-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChI Key	XOSDYLFXPMFRGF-UHFFFAOYSA-N
MDL Number	MFCD00017040
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
NSC Number	507493
SMILES	C1=C(C=CC(=C1C#N)C)[N+](=O)[O-]
Synonyms	2-Methyl-5-nitrobenzonitrile, 939-83-3, 5-Nitro-o-tolunitrile, Benzonitrile, 2-methyl-5-nitro-, 2-Cyano-4-nitrotoluene, 4-Nitro-o-tolunitrile, MFCD00017040, 3-Cyano-4-methylnitrobenzene, 2-methyl-5-nitro-benzonitrile, XOSDYLFXPMFRGF-UHFFFAOYSA-N, 2-methyl-5-nitrobenzenecarbonitrile, NSC507493, 4-Nitro-2-cyanotoluene, AC1L6VNE, 5-Nitro-ortho-tolunitrile, 5-Nitro-2-methylbenzonitril, 6-methyl-3-nitrobenzonitrile, KSC498C0H, 2-methyl-5-nitro benzonitrile, 6-methyl-3-nitro-benzonitrile, SCHEMBL1343971, Benzonitrile,2-methyl-5-nitro-, CTK3J8103, KS-00000EDK, XOSDYLFXPMFRGF-UHFFFAOYSA-, DTXSID20325444, ACN-S004448, ACT07827, ZINC2566095, 2-Methyl-5-nitrobenzonitrile, 97%, ANW-51649, SBB037993, STK377441, AKOS000120710, AC-3302, AM61700, AS05872, CM13137, CS-W002113, MCULE-1383777536, NSC-507493, PS-5955, RTR-029377, TRA0062732, AJ-41228, AK-73098, AN-13119, BP-10743, BR-73098, CJ-09737, SC-13192, SY004584, AB0027772, AB1000149, DB-030869, ST2410139, TR-029377, 4CH-015263, FT-0612981, M2570, ST50114927, W9648, S-1388, MFCD00017040 (97+%), AE-641/00686062, I01-10001, Z271137860, InChI=1/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3, C8H6N2O2, CID350143, CB10110, 2-Methyl-5-nitrobenzonitrile, 98% - 5G 5g, 89001-53-6,

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	2.3

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