AG005THD

7062-40-0 | 5-Bromo-2-methoxyphenylacetonitrile

AG005THD

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CAS Number	7062-40-0
Catalog Number	AG005THD(AGN-PC-0KK776)
Chemical Name	5-Bromo-2-methoxyphenylacetonitrile
IUPAC Name	2-(5-bromo-2-methoxyphenyl)acetonitrile
InChI	InChI=1S/C9H8BrNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3
InChI Key	VHFHMEZAFVNROO-UHFFFAOYSA-N
MDL Number	MFCD00016392
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	N#CCC1=CC(Br)=CC=C1OC
Synonyms	7062-40-0, 2-(5-bromo-2-methoxyphenyl)acetonitrile, 5-Bromo-2-Methoxyphenylacetonitrile, AK158640, AC1MC3MY, AC1Q45CC, SCHEMBL4171690, 4-Bromo-2-(cyanomethyl)anisole, 2-Methoxy-5-bromobenzyl cyanide, 5-Bromo-2-methoxybenzyl cyanide, CTK5D2668, DTXSID30370809, VHFHMEZAFVNROO-UHFFFAOYSA-N, ZINC2565992, ZX-AT002315, 8479AE, MFCD00016392, OR3048, 5-Bromo-2-methoxyphenylbenzyl cyanide, (5-bromo-2-methoxyphenyl)acetonitrile, AKOS009158003, FCH5709601, FS-2537, KS-0000259Y, (5-Bromo-2-methoxy-phenyl)-acetonitrile, AJ-41195, BBV-32811612, AX8102789, DB-021768, TR-023361, AM20041054, FT-0676147, ST24039489, Y-9841, C-52740, I14-26064, C9H8BrNO, ZINC02565992, CID2735580,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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