AG000LSL

124276-32-0 | Cyclopropanecarbonitrile, 1-(3-chlorophenyl)-

AG000LSL

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CAS Number	124276-32-0
Catalog Number	AG000LSL(AGN-PC-0044A0)
Chemical Name	Cyclopropanecarbonitrile, 1-(3-chlorophenyl)-
IUPAC Name	1-(3-chlorophenyl)cyclopropane-1-carbonitrile
InChI	InChI=1S/C10H8ClN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChI Key	DHNLVTGCFXWYFU-UHFFFAOYSA-N
MDL Number	MFCD01314305
Molecular Formula	C10H8ClN
Molecular Weight	177.6302
SMILES	N#CC1(C2=CC=CC(Cl)=C2)CC1
Synonyms	1-(3-chlorophenyl)cyclopropanecarbonitrile, 124276-32-0, 1-(3-CHLOROPHENYL)CYCLOPROPANE-1-CARBONITRILE, Cyclopropanecarbonitrile, 1-(3-chlorophenyl)-, ACMC-1CACU, SCHEMBL923226, CTK4B3826, DTXSID00569783, DHNLVTGCFXWYFU-UHFFFAOYSA-N, 4580AA, ANW-18224, MFCD01314305, ZINC34494113, AKOS009266431, AB08512, MCULE-4718567066, RTR-003763, AJ-88910, AS-41486, CJ-18410, SY225624, 1-(3-Chlorophenyl)-cyclopropanecarbonitrile, DB-062231, TR-003763, CS-0090837, Cyclopropanecarbonitrile,1-(3-chlorophenyl)-, FT-0690649, MFCD01314305 (95%), B-3528, I14-25275, C10H8ClN,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.631g/mol
Monoisotopic Mass	177.035g/mol
Rotatable Bond Count	1
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	8
Hazard statements	H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338+P310
UN Code	UN 1759

Certificate of Analysis

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