AG002PRE

248920-09-4 | Benzeneacetonitrile, 2-bromo-3-methyl-

AG002PRE

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CAS Number	248920-09-4
Catalog Number	AG002PRE(AGN-PC-03UMDM)
Chemical Name	Benzeneacetonitrile, 2-bromo-3-methyl-
IUPAC Name	2-(2-bromo-3-methylphenyl)acetonitrile
InChI	InChI=1S/C9H8BrN/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4H,5H2,1H3
InChI Key	LQQGCXTYKIBEJD-UHFFFAOYSA-N
MDL Number	MFCD18392225
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	CC1=CC=CC(CC#N)=C1Br
Synonyms	248920-09-4, 2-(2-Bromo-3-methylphenyl)acetonitrile, 2-bromo-3-methylbenzylcyanid, SCHEMBL6217366, LQQGCXTYKIBEJD-UHFFFAOYSA-N, 2-Bromo-3-methylphenylacetonitrile, MFCD18392225, 2-(2-bromo-3-methylphenyl)acetonitril, Benzeneacetonitrile, 2-bromo-3-methyl-, (2-Bromo-3-methylphenyl)acetonitrile,

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	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

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