AG002SPB

263159-64-4 | Benzonitrile, 2-bromo-3-methyl-

AG002SPB

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CAS Number	263159-64-4
Catalog Number	AG002SPB(AGN-PC-00PCK7)
Chemical Name	Benzonitrile, 2-bromo-3-methyl-
IUPAC Name	2-bromo-3-methylbenzonitrile
InChI	InChI=1S/C8H6BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
InChI Key	RNHZLKDKPMISMY-UHFFFAOYSA-N
MDL Number	MFCD09025664
Molecular Formula	C8H6BrN
Molecular Weight	196.0439
SMILES	BrC1=C(C#N)C=CC=C1C
Synonyms	2-Bromo-3-methylbenzonitrile, 263159-64-4, 2-Bromo-3-cyanotoluene, cyanobromotoluene, ACMC-20ao2w, 2-bromo-methyl-benzonitrile, SCHEMBL1233144, Benzonitrile,2-bromo-3-methyl-, CTK4F7617, DTXSID70573054, Benzonitrile, 2-bromo-3-methyl-, RNHZLKDKPMISMY-UHFFFAOYSA-N, 2-Bromo-3-methylbenzonitrile, 97%, MFCD09025664, ZINC28278339, AKOS015834902, AS03710, AS04483, FCH1122881, RTR-011962, 2-bromanyl-3-methyl-benzenecarbonitrile, ACM263159644, AJ-83410, AK-64793, AS-46447, BBV-39697500, BC005220, OR345312, AX8215468, DB-020606, ST2404196, TR-011962, FT-0682148, W4977, A-8655, A818378, J-016377, I01-12620, C8H6BrN, ACN-031335, 52780-15-1,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.968g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.047g/mol
Monoisotopic Mass	194.968g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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