AG0072E2

21423-84-7 | 2-Chloro-4-methylbenzonitrile

AG0072E2

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CAS Number	21423-84-7
Catalog Number	AG0072E2(AGN-PC-0JOY4T)
Chemical Name	2-Chloro-4-methylbenzonitrile
IUPAC Name	2-chloro-4-methylbenzonitrile
InChI	InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChI Key	LKWQNMIDLFGETG-UHFFFAOYSA-N
MDL Number	MFCD03094672
Molecular Formula	C8H6ClN
Molecular Weight	151.5929
NSC Number	263769
SMILES	C1=CC(=CC(=C1C#N)Cl)C
Synonyms	2-chloro-4-methylbenzonitrile, 21423-84-7, 2-Chloro-4-methyl-benzonitrile, 3-Chloro-4-cyanotoluene, Benzonitrile, 2-chloro-4-methyl-, NSC263769, PubChem4732, AC1L80BF, 2-chloro-4methylbenzonitrile, KSC494K0H, 4-methyl-2-chlorobenzonitrile, SCHEMBL410587, CTK3J4503, LKWQNMIDLFGETG-UHFFFAOYSA-N, ACT00639, KS-00000MY4, ZINC1558551, 2-chloro-4-methylbenzenecarbonitrile, ANW-50179, MFCD03094672, SBB064366, AKOS015850437, AC-4052, AS01650, FS-2529, NSC-263769, RTR-010044, AJ-27016, AK-34090, AN-12389, BC227676, BR-34090, CJ-05337, SC-68726, SY030512, AB0030558, DB-030839, TR-010044, 4CH-006073, AM20050558, CS-0059142, FT-0081767, FT-0649476, ST24032440, X2763, MFCD03094672 (95%), A20940, S-2875, I01-4707, C8H6ClN, 2-Chloro-1-fluoro-3-nitrobenzene, CID319475, 7390-42-3,

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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number