AG00366U

54367-66-7 | 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid

AG00366U

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CAS Number	54367-66-7
Catalog Number	AG00366U(AGN-PC-0KK7C7)
Chemical Name	5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	5-chloro-1-methylpyrazole-4-carboxylic acid
InChI	InChI=1S/C5H5ClN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)
InChI Key	SDYOVMHXYNKROV-UHFFFAOYSA-N
MDL Number	MFCD02089694
Molecular Formula	C5H5ClN2O2
Molecular Weight	160.5584
SMILES	ClC1=C(C=NN1C)C(=O)O
Synonyms	5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid, 54367-66-7, 5-chloro-1-methylpyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-, PubChem23734, AC1MC42Y, SCHEMBL966692, CHEMBL2287212, CTK1G9113, DTXSID80370935, SDYOVMHXYNKROV-UHFFFAOYSA-N, KS-000010OE, ZINC2576637, 7841AB, ANW-61899, MFCD02089694, SBB053204, AKOS006228033, ACN-000778, QC-4468, RD-0217, SB12159, AC-28851, AJ-42538, BP-10532, PS-10942, SC-22258, 4-Carboxy-5-chloro-1-methyl-1H-pyrazole, DB-071829, TC-150644, 5-chloro-1-methyl-4-pyrazolecarboxylic acid, CS-0063952, FT-0620212, ST24044579, 5-chloro-1-methyl-4-pyrazole carboxylic acid, K-9808, 1-methyl-5-chloro-1h-pyrazole-4-carboxylic acid, 5-chloranyl-1-methyl-pyrazole-4-carboxylic acid, A830125, J-517262, I14-15856, C5H5ClN2O2, CID2735774, 5-chloro-1-methyl-pyrazole-4-carboxylic Acid, 5-CHLORO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.557g/mol
Monoisotopic Mass	160.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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