AG003BA1

7315-17-5 | 3-(2-Chlorophenyl)propanenitrile

AG003BA1

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CAS Number	7315-17-5
Catalog Number	AG003BA1(AGN-PC-0JT8LK)
Chemical Name	3-(2-Chlorophenyl)propanenitrile
IUPAC Name	3-(2-chlorophenyl)propanenitrile
InChI	InChI=1S/C9H8ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2
InChI Key	MMTXIUJWFHJGBA-UHFFFAOYSA-N
MDL Number	MFCD00019873
Molecular Formula	C9H8ClN
Molecular Weight	165.6195
SMILES	N#CCCC1=CC=CC=C1Cl
Synonyms	3-(2-Chlorophenyl)propanenitrile, 7315-17-5, 3-(2-Chlorophenyl)propionitrile, 2-Chlorohydrocinnamonitrile, Benzenepropanenitrile, 2-chloro-, Benzenepropanenitrile,2-chloro-, MMTXIUJWFHJGBA-UHFFFAOYSA-N, 3-(2-chloro-phenyl)-propionitrile, ACMC-20anlq, AC1Q3PFK, AC1LBD83, 2-Chlorobenzenepropanenitrile, KSC637I0T, Hydrocinnamonitrile, o-chloro-, SCHEMBL1343862, 3-(o-chlorophenyl)propionitrile, CTK5D7409, DTXSID30342309, 2-Chlorohydrocinnamonitrile, 99%, 3-(0-chlorophenyl) propionitrile, 1-Cyano-2-(O-chlorophenyl)ethane, EBD48498, KS-00000N9W, ZINC2163506, Propanenitrile, 3-(2-chlorophenyl), 1363AC, MFCD00019873, AKOS009157730, FS-1540, MCULE-5466609215, AJ-33728, AK115012, CJ-07818, CJ-33188, DB-021589, TR-033554, 4CH-022098, FT-0636432, ST24041398, ST50997679, I14-28336, F9994-0686, C9H8ClN, 3- PROPIONITRILE, 2-Chloro-Benzenepropanenitrile, AR-1E6207, CID580668, ZINC02163506, ACN-038953, 3-(2-Chlorophenyl)propionitrile, 98% - 1G 1g, 73855-51-3,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.62g/mol
Monoisotopic Mass	165.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number