AG00BXSC

32327-71-2 | 3-(4-CHLOROPHENYL)PROPIONITRILE

AG00BXSC

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CAS Number	32327-71-2
Catalog Number	AG00BXSC(AGN-PC-0KKM2J)
Chemical Name	3-(4-CHLOROPHENYL)PROPIONITRILE
IUPAC Name	3-(4-chlorophenyl)propanenitrile
InChI	InChI=1S/C9H8ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
InChI Key	PVNUPDOGDDNZBB-UHFFFAOYSA-N
MDL Number	MFCD01310802
Molecular Formula	C9H8ClN
Molecular Weight	165.6195
SMILES	N#CCCC1=CC=C(Cl)C=C1
Synonyms	32327-71-2, 3-(4-chlorophenyl)propanenitrile, 3-(4-Chlorophenyl)propionitrile, 4-Chloro-Benzenepropanenitrile, Benzenepropanenitrile, 4-chloro-, AC1MBWSX, 4-Chlorobenzenepropionitrile, Benzenepropanenitrile,4-chloro-, SCHEMBL1066422, CTK4G8528, DTXSID40374050, ZINC2574316, MFCD01310802, AKOS010643859, AS-47779, DB-021650, TR-013614, FT-0676416, ST51041879, A18631, I14-28505, 3- PROPIONITRILE, 4-chloroBenzenepropanenitrile, ZINC02574316, CID2757845,

Complexity	150
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
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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