AG0019TF

138907-73-0 | 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester

AG0019TF

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CAS Number	138907-73-0
Catalog Number	AG0019TF(AGN-PC-0039ES)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester
IUPAC Name	ethyl 1-(4-fluorophenyl)pyrazole-4-carboxylate
InChI	InChI=1S/C12H11FN2O2/c1-2-17-12(16)9-7-14-15(8-9)11-5-3-10(13)4-6-11/h3-8H,2H2,1H3
InChI Key	MEUROLLIWZOVNK-UHFFFAOYSA-N
MDL Number	MFCD16036989
Molecular Formula	C12H11FN2O2
Molecular Weight	234.2263
SMILES	O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)OCC
Synonyms	ETHYL 1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE, 138907-73-0, AK139712, 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester, 1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, SCHEMBL1194458, KS-00000PEY, DTXSID10566687, MEUROLLIWZOVNK-UHFFFAOYSA-N, MFCD16036989, ZINC34424245, AKOS015902163, AS06555, CM10520, DS-6703, AJ-88467, AX8221801, ST24046722, Ethyl 1-(4-fluorophenyl)pyrazole-4-carboxylate, I14-13499, ACN-042499,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.08g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.23g/mol
Monoisotopic Mass	234.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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