AG00596Q

75920-46-6 | 2-(2-Chlorophenyl)propanenitrile

AG00596Q

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CAS Number	75920-46-6
Catalog Number	AG00596Q(AGN-PC-0U8P1Y)
Chemical Name	2-(2-Chlorophenyl)propanenitrile
IUPAC Name	2-(2-chlorophenyl)propanenitrile
InChI	InChI=1S/C9H8ClN/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5,7H,1H3
InChI Key	XOMXWBCHMZFRQX-UHFFFAOYSA-N
MDL Number	MFCD10687167
Molecular Formula	C9H8ClN
Molecular Weight	165.6195
SMILES	CC(C#N)C1=CC=CC=C1Cl
Synonyms	2-(2-Chlorophenyl)propanenitrile, 75920-46-6, 2-(2-Chloro-phenyl)-propionitrile, 2-(2-Chlorophenyl)propionitrile, SCHEMBL2163244, CTK5E2198, DTXSID00505207, XOMXWBCHMZFRQX-UHFFFAOYSA-N, 2-(2-chlorophenyl) propanenitrile, 1799AC, FCH881298, MFCD10687167, AKOS006305749, Benzeneacetonitrile,2-chloro-a-methyl-, AS-37310, SY035560, AB0075740, AX8061256, MFCD10687167 (95%), X-3473, C9H8ClN, 2- -PROPIONITRILE,

Complexity	170
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	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number