AG007L52

27387-23-1 | 2-(2-Bromo-5-methoxyphenyl)acetonitrile

AG007L52

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CAS Number	27387-23-1
Catalog Number	AG007L52(AGN-PC-0JU6VN)
Chemical Name	2-(2-Bromo-5-methoxyphenyl)acetonitrile
IUPAC Name	2-(2-bromo-5-methoxyphenyl)acetonitrile
InChI	InChI=1S/C9H8BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H3
InChI Key	VSSZEBGUCILFSV-UHFFFAOYSA-N
MDL Number	MFCD09927439
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	BrC1=C(C=C(C=C1)OC)CC#N
Synonyms	2-(2-bromo-5-methoxyphenyl)acetonitrile, 27387-23-1, benzeneacetonitrile, 2-bromo-5-methoxy-, (2-Bromo-5-methoxy-phenyl)-acetonitrile, AK103159, (2-bromo-5-methoxyphenyl)acetonitrile, AC1LCZ02, SCHEMBL898226, CTK8C0667, KS-00000QBU, DTXSID50348661, VSSZEBGUCILFSV-UHFFFAOYSA-N, 5-methoxy-2-bromophenylacetonitrile, 2-Bromo-5-methoxybenzeneacetonitrile, ANW-65057, MFCD09927439, ZINC32298747, AKOS014658768, DS-4028, FCH5352430, AJ-85189, BBV-39890295, AX8234698, ST2403827, TC-153802, 4CH-017725, CS-0041927, InChI=1/C9H8BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H, CID639666,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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