AG00IJFT

957513-70-1 | 5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid

AG00IJFT

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CAS Number	957513-70-1
Catalog Number	AG00IJFT(AGN-PC-0LU5BX)
Chemical Name	5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
IUPAC Name	5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C11H9ClN2O2/c1-14-10(6-9(13-14)11(15)16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChI Key	GMNCOASQHVLVRX-UHFFFAOYSA-N
MDL Number	MFCD08144097
Molecular Formula	C11H9ClN2O2
Molecular Weight	236.6544
SMILES	CN1N=C(C=C1C1=CC=C(Cl)C=C1)C(O)=O
Synonyms	957513-70-1, 5-(4-Chlorophenyl)-1-methyl-1H-pyrazole-3-carboxylic acid, 5-(4-Chloro-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid, N-METHYL-5-(4-CHLOROPHENYL)PYRAZOLE-3-CARBOXYLIC ACID, BAS 10150933, AC1O5HAS, SCHEMBL2565035, CTK6G9655, DTXSID70424411, ZINC6677789, 6543AC, MFCD08144097, SBB018250, AKOS000302656, DS-5252, MCULE-1363726632, RTR-045377, AJ-56623, AK111545, TR-045377, ST50401616, C11H9ClN2O2, CID6484190, 5-(4-Chlorophenyl)-1-methyl-1H-pyrazole-3-carboxylicacid,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.035g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.655g/mol
Monoisotopic Mass	236.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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