AG000RFZ

1260855-51-3 | 1H-Pyrazole-4-carboxylic acid, 1-[2-(trifluoromethyl)phenyl]-

AG000RFZ

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CAS Number	1260855-51-3
Catalog Number	AG000RFZ(AGN-PC-09RWO0)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1-[2-(trifluoromethyl)phenyl]-
IUPAC Name	1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
InChI	InChI=1S/C11H7F3N2O2/c12-11(13,14)8-3-1-2-4-9(8)16-6-7(5-15-16)10(17)18/h1-6H,(H,17,18)
InChI Key	OXANGZLNHGUGLT-UHFFFAOYSA-N
MDL Number	MFCD15527664
Molecular Formula	C11H7F3N2O2
Molecular Weight	256.1807
SMILES	O=C(C1=CN(C2=CC=CC=C2C(F)(F)F)N=C1)O
Synonyms	1260855-51-3, 1-(2-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-[2-(trifluoromethyl)phenyl]-1H-Pyrazole-4-carboxylic acid, AK122762, DTXSID80697058, 5005AA, MFCD15527664, ZINC51692508, AKOS011597000, DS-6731, ABA-9435130, DA-17918, AJ-111678, AX8246940, FT-0755203, 1H-Pyrazole-4-carboxylic acid, 1-[2-(trifluoromethyl)phenyl]-, C11H7F3N2O2, 1-(2-(Trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylicacid,

Complexity	322
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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