AG0019TA

138907-80-9 | 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-

AG0019TA

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CAS Number	138907-80-9
Catalog Number	AG0019TA(AGN-PC-0N952F)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-
IUPAC Name	1-(4-chlorophenyl)pyrazole-4-carboxylic acid
InChI	InChI=1S/C10H7ClN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChI Key	PBSAOBJMSYDULI-UHFFFAOYSA-N
MDL Number	MFCD09936018
Molecular Formula	C10H7ClN2O2
Molecular Weight	222.6278
SMILES	O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)O
Synonyms	138907-80-9, 1-(4-chlorophenyl)pyrazole-4-carboxylic Acid, 1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid, PBSAOBJMSYDULI-UHFFFAOYSA-N, 1-(4-Chloro-phenyl)-1H-pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-, AC1Q73XM, CHEMBL171412, SCHEMBL2860260, CTK6H0518, 4957AJ, MFCD09936018, SBB019313, STK695453, ZINC19472110, AKOS000177801, MCULE-3309655390, NE31466, CS-11974, SY034441, ST4147948, AM20020462, BB 0219888, 4-chlorophenyl-1H-pyrazole-4-carboxylic acid, EN300-43468, MFCD09936018 (95%), 1-(4-Chloro-phenyl)-1H-pyrazole-4-carboxylic acid, F8880-1484, Z442260266, 1-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid, AldrichCPR, C10H7ClN2O2, CID10704295,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.02g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.628g/mol
Monoisotopic Mass	222.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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