AG001GR3

1416371-96-4 | 1H-Pyrazole-3-carboxylic acid, 5-fluoro-, ethyl ester

AG001GR3

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CAS Number	1416371-96-4
Catalog Number	AG001GR3(AGN-PC-0WBS75)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-fluoro-, ethyl ester
IUPAC Name	ethyl 5-fluoro-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C6H7FN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
InChI Key	FCQJGOMGQMVHEN-UHFFFAOYSA-N
MDL Number	MFCD20275524
Molecular Formula	C6H7FN2O2
Molecular Weight	158.1304
SMILES	O=C(C1=NNC(F)=C1)OCC
Synonyms	ethyl 5-fluoro-1H-pyrazole-3-carboxylate, 1416371-96-4, SCHEMBL19224665, MFCD20275524, ZINC72190596, AKOS022185940, ACN-000570, FCH4053807, KS-0000054M, AK142879, AS-52676, QC-11324, AJ-119329, CS-0049438, 1H-Pyrazole-3-carboxylic acid, 5-fluoro-, ethyl ester,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.049g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.132g/mol
Monoisotopic Mass	158.049g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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