AG005UF2

98534-81-7 | 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

AG005UF2

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CAS Number	98534-81-7
Catalog Number	AG005UF2(AGN-PC-0JUYPN)
Chemical Name	1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
IUPAC Name	1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI	InChI=1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18)
InChI Key	SMPJBTIFNUUWGQ-UHFFFAOYSA-N
MDL Number	MFCD00173854
Molecular Formula	C11H7F3N2O2
Molecular Weight	256.1807
SMILES	O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)O
Synonyms	1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 98534-81-7, 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, 1-phenyl-5-trifluoromethyl-1h-pyrazole-4-carboxylic acid, 5-(trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid, Maybridge1_003788, AC1LEMM0, AC1Q4JYU, AC1Q72CS, MLS000736334, SCHEMBL595690, CHEMBL1540706, HMS552E04, KS-00001SBG, ZINC57710, DTXSID80350959, SMPJBTIFNUUWGQ-UHFFFAOYSA-N, HMS2644H07, ANW-45206, MFCD00173854, SBB000949, AKOS000200493, CCG-243183, MCULE-5931573039, AJ-09771, BR-28388, GK 01493, SMR000338284, DB-025637, ST2415456, TR-030333, CS-0059246, FT-0608249, ST50308810, W9846, EN300-24745, C-5714, A845872, 1-Phenyl-5-trifluoromethylpyrazole-4-carboxylic acid, 11R-1154, I14-15520, 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid, Z203240940, 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid 97%, 1-phenyl-5-(trifluoromethyl-1h-pyrazole)-4-carboxylic acid, 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 97%, C11H7F3N2O2, AR-1C5283, CID688699, 999-97-3,

Complexity	316
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-H312-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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