AG003L24

35852-81-4 | 4-Chloro-1-methyl-1H-pyrazole

AG003L24

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CAS Number	35852-81-4
Catalog Number	AG003L24(AGN-PC-00O76R)
Chemical Name	4-Chloro-1-methyl-1H-pyrazole
IUPAC Name	4-chloro-1-methylpyrazole
InChI	InChI=1S/C4H5ClN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChI Key	PGNUBDXGTOZIHC-UHFFFAOYSA-N
MDL Number	MFCD08275463
Molecular Formula	C4H5ClN2
Molecular Weight	116.5489
SMILES	ClC1=C[N](N=C1)C
Synonyms	4-chloro-1-methyl-1H-pyrazole, 35852-81-4, 4-CHLORO-1-METHYLPYRAZOLE, 1H-Pyrazole, 4-chloro-1-methyl-, zlchem 152, SCHEMBL2611107, 1-Methyl-4-chloro-1H-pyrazole, CTK6I2131, DTXSID20551120, ZLB0141, ACT05915, ALBB-004427, ANW-49574, MFCD08275463, SBB047361, STK503165, ZINC34165580, AKOS002657243, CS-W003493, DS-1202, MCULE-7422425633, TRA0084404, VP20104, AJ-87269, AK-49050, BR-49050, CJ-18221, SY016168, AB0003224, DB-069269, TR-014779, 4CH-008039, A6242, AM20090567, BB 0256550, FT-0648554, ST24028987, ST45055144, W5738, S-6889, MFCD08275463 (95+%), 852C814, I11-0538, C4H5ClN2,

Complexity	66.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.014g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	116.548g/mol
Monoisotopic Mass	116.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H320-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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