AG00367S

870787-06-7 | 3-(Trifluoromethyl)pyrazine-2-carboxylic acid

AG00367S

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CAS Number	870787-06-7
Catalog Number	AG00367S(AGN-PC-09X2KL)
Chemical Name	3-(Trifluoromethyl)pyrazine-2-carboxylic acid
IUPAC Name	3-(trifluoromethyl)pyrazine-2-carboxylic acid
InChI	InChI=1S/C6H3F3N2O2/c7-6(8,9)4-3(5(12)13)10-1-2-11-4/h1-2H,(H,12,13)
InChI Key	ZHOIMHWVXJSOBX-UHFFFAOYSA-N
MDL Number	MFCD20646033
Molecular Formula	C6H3F3N2O2
Molecular Weight	192.0954
SMILES	FC(C=1C(=NC=CN1)C(=O)O)(F)F
Synonyms	3-(Trifluoromethyl)pyrazine-2-carboxylic acid, 870787-06-7, AK-57156, 2-Trifluoromethylpyrazine-3-carboxylic acid, 3-Trifluoromethyl-pyrazine-2-carboxylic acid, Pyrazinecarboxylic acid, 3-(trifluoromethyl)-, SCHEMBL630383, CTK8C2697, DTXSID40705527, ZHOIMHWVXJSOBX-UHFFFAOYSA-N, KS-00000P2I, 3733AC, ANW-68873, MFCD20646033, ZINC73632048, AKOS016005990, FCH1226070, DS-15443, 3-trifluoromethylpyrazine-2-carboxylic acid, AJ-121256, AX8217183, TC-157618, 3-Trifluoromethyl-2-pyrazine carboxylic acid, 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC, 2-Pyrazinecarboxylic acid, 3-(trifluoromethyl)-, 188798-EP2271632A1, C6H3F3N2O2,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.097g/mol
Monoisotopic Mass	192.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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