AG00I8D3

4387-32-0 | Benzonitrile, 2-chloro-5-methyl-

AG00I8D3

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CAS Number	4387-32-0
Catalog Number	AG00I8D3(AGN-PC-0NJEAO)
Chemical Name	Benzonitrile, 2-chloro-5-methyl-
IUPAC Name	2-chloro-5-methylbenzonitrile
InChI	InChI=1S/C8H6ClN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
InChI Key	ZTIPZBJOLLKLTB-UHFFFAOYSA-N
MDL Number	MFCD00045595
Molecular Formula	C8H6ClN
Molecular Weight	151.5929
SMILES	ClC1=C(C#N)C=C(C=C1)C
Synonyms	2-CHLORO-5-METHYLBENZONITRILE, 4387-32-0, Benzonitrile, 2-chloro-5-methyl-, Benzonitrile,2-chloro-5-methyl-, PubChem14562, 5-methyl-2-chlorobenzonitrile, SCHEMBL366053, CTK4I7846, DTXSID20502470, ZTIPZBJOLLKLTB-UHFFFAOYSA-N, ZINC2507888, 6054AB, ANW-74811, CL8162, FC0761, MFCD00045595, AKOS006273503, AM84105, CC-1810, RP21534, AJ-36251, AK-27213, DS-11171, SC-42950, AB0087406, DB-010999, TR-017002, FT-0081621, FT-0635265, ST24040382, Z-0066, 387C320, I01-7847, J-508864, C8H6ClN, 4-(4-Pyridinyl)benzoic acid, A7017,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.593g/mol
Monoisotopic Mass	151.019g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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