AG005IK8

7048-38-6 | (5-Chloro-2-methoxyphenyl)acetonitrile

AG005IK8

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CAS Number	7048-38-6
Catalog Number	AG005IK8(AGN-PC-0LWTHL)
Chemical Name	(5-Chloro-2-methoxyphenyl)acetonitrile
IUPAC Name	2-(5-chloro-2-methoxyphenyl)acetonitrile
InChI	InChI=1S/C9H8ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3
InChI Key	YVPGMOIUQBMWLU-UHFFFAOYSA-N
MDL Number	MFCD07348599
Molecular Formula	C9H8ClNO
Molecular Weight	181.6189
SMILES	N#CCC1=CC(Cl)=CC=C1OC
Synonyms	(5-chloro-2-methoxyphenyl)acetonitrile, 7048-38-6, 2-(5-chloro-2-methoxyphenyl)acetonitrile, Benzeneacetonitrile, 5-chloro-2-methoxy-, AC1OFKUL, AC1Q45CG, SCHEMBL549153, CTK5D2485, 2-methoxy-5-chlorobenzyl cyanide, 5-Chloro-2-methoxybenzyl cyanide, DTXSID50427900, YVPGMOIUQBMWLU-UHFFFAOYSA-N, CS-B1013, ZINC4218606, 2-methoxy-5-chlorophenylacetonitrile, 0911AC, ANW-53967, MFCD07348599, AKOS005144505, MCULE-1466328005, (5-chloro-2-methoxy-phenyl)acetonitrile, (5-Chloro-2-methoxy-phenyl)-acetonitrile, AJ-49074, AK-36163, DS-12848, SC-97394, AB0109588, DB-074305, TC-142712, FT-0648047, H8362, EN300-14866, C9H8ClNO, ZINC04218606, CID7131175,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.619g/mol
Monoisotopic Mass	181.029g/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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