AG007PWL

215800-25-2 | 2-(4-Bromo-3-methylphenyl)acetonitrile

AG007PWL

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CAS Number	215800-25-2
Catalog Number	AG007PWL(AGN-PC-01VPAY)
Chemical Name	2-(4-Bromo-3-methylphenyl)acetonitrile
IUPAC Name	2-(4-bromo-3-methylphenyl)acetonitrile
InChI	InChI=1S/C9H8BrN/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6H,4H2,1H3
InChI Key	OIBRFAUQTMYQLB-UHFFFAOYSA-N
MDL Number	MFCD14582921
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	N#CCC1=CC=C(Br)C(C)=C1
Synonyms	2-(4-Bromo-3-methylphenyl)acetonitrile, 215800-25-2, (4-bromo-3-methylphenyl)acetonitrile, Benzeneacetonitrile, 4-bromo-3-methyl-, ACMC-209flw, SCHEMBL194947, CTK8B1196, DTXSID30593556, OIBRFAUQTMYQLB-UHFFFAOYSA-N, 4-Bromo-3-methylphenylacetonitrile, KS-00000ZR2, ANW-24498, MFCD14582921, ZINC85210255, AKOS016008637, FCH1385038, AS-44889, CJ-22274, SC-87498, AJ-126494, AX8243394, TC-113243, V4369, EN300-197797, Z2161028135, C9H8BrN, B-7890,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.074g/mol
Monoisotopic Mass	208.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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