AG000EB0

1174321-06-2 | 2-Pyrazinecarboxylic acid, 5-(difluoromethyl)-

AG000EB0

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CAS Number	1174321-06-2
Catalog Number	AG000EB0(AGN-PC-0WAMW0)
Chemical Name	2-Pyrazinecarboxylic acid, 5-(difluoromethyl)-
IUPAC Name	5-(difluoromethyl)pyrazine-2-carboxylic acid
InChI	InChI=1S/C6H4F2N2O2/c7-5(8)3-1-10-4(2-9-3)6(11)12/h1-2,5H,(H,11,12)
InChI Key	UYWJPTNAOQSWOS-UHFFFAOYSA-N
MDL Number	MFCD10698566
Molecular Formula	C6H4F2N2O2
Molecular Weight	174.1050
SMILES	O=C(C1=NC=C(C(F)F)N=C1)O
Synonyms	5-(difluoromethyl)pyrazine-2-carboxylic acid, 1174321-06-2, AK310953, SCHEMBL990507, UYWJPTNAOQSWOS-UHFFFAOYSA-N, KS-00000Q4W, BBL102008, MFCD20640530, STL555807, ZINC88189990, AKOS016015709, FCH1220208, DA-15042, DS-11691, 5-difluoromethylpyrazine-2-carboxylic acid, 5-difluoromethyl-pyrazine-2-carboxylic acid, 2-Pyrazinecarboxylicacid,5-(difluoromethyl)-, CS-0043747, FT-0749936, 2-Pyrazinecarboxylic acid, 5-(difluoromethyl)-,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.107g/mol
Monoisotopic Mass	174.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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