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870787-06-7 | 3-(TRIFLUOROMETHYL)PYRAZINE-2-CARBOXYLIC ACID
CAS No: 870787-06-7 Catalog No: AG00367S MDL No:MFCD20646033
Product Description
Catalog Number:
AG00367S
Chemical Name:
3-(TRIFLUOROMETHYL)PYRAZINE-2-CARBOXYLIC ACID
CAS Number:
870787-06-7
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
MDL Number:
MFCD20646033
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
SMILES:
OC(=O)c1nccnc1C(F)(F)F
Properties
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
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