AG009LVD

113081-50-8 | 2-(4-Bromo-3-methoxyphenyl)acetonitrile

AG009LVD

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CAS Number	113081-50-8
Catalog Number	AG009LVD(AGN-PC-0KK77A)
Chemical Name	2-(4-Bromo-3-methoxyphenyl)acetonitrile
IUPAC Name	2-(4-bromo-3-methoxyphenyl)acetonitrile
InChI	InChI=1S/C9H8BrNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
InChI Key	AITZSRHOUYDLOM-UHFFFAOYSA-N
MDL Number	MFCD06797367
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	N#CCC1=CC=C(Br)C(OC)=C1
Synonyms	2-(4-bromo-3-methoxyphenyl)acetonitrile, 113081-50-8, AC1MC3NA, SCHEMBL10345419, AITZSRHOUYDLOM-UHFFFAOYSA-N, 4-bromo-3-methoxyphenylacetonitrile, ACT07389, ZINC4293880, MFCD06797367, AKOS024225091, FCH1382389, Benzeneacetonitrile, 4-bromo-3-methoxy-, AS-37968, AB0004747, AX8266874, X-1648, ZINC04293880, CID2735584,

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	1.9

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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