AG000R2Y

1260740-53-1 | 1H-Pyrazole-4-carboxylic acid, 1-[4-(trifluoromethyl)phenyl]-

AG000R2Y

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CAS Number	1260740-53-1
Catalog Number	AG000R2Y(AGN-PC-0WCYCS)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1-[4-(trifluoromethyl)phenyl]-
IUPAC Name	1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
InChI	InChI=1S/C11H7F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)16-6-7(5-15-16)10(17)18/h1-6H,(H,17,18)
InChI Key	LVXUGHWZJOBYDX-UHFFFAOYSA-N
MDL Number	MFCD15527665
Molecular Formula	C11H7F3N2O2
Molecular Weight	256.1807
SMILES	O=C(C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)O
Synonyms	1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid, 1260740-53-1, 1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid, KS-00000CZS, MFCD15527665, ZINC54187193, AKOS006113762, CS-11975, SY034442, MFCD15527665 (95%), 1-[4-(Trifluoromethyl)phenyl]pyrazole-4-carboxylicAcid, Z2065464282, 1H-Pyrazole-4-carboxylic acid, 1-[4-(trifluoromethyl)phenyl]-,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.046g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.184g/mol
Monoisotopic Mass	256.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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