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1142190-60-0 | 2-Quinoxalinecarboxylic acid, 3-(trifluoromethyl)-
CAS No: 1142190-60-0 Catalog No: AG000AUT MDL No:MFCD11869266
Product Description
Catalog Number:
AG000AUT
Chemical Name:
2-Quinoxalinecarboxylic acid, 3-(trifluoromethyl)-
CAS Number:
1142190-60-0
Molecular Formula:
C10H5F3N2O2
Molecular Weight:
242.1541
MDL Number:
MFCD11869266
IUPAC Name:
3-(trifluoromethyl)quinoxaline-2-carboxylic acid
InChI:
InChI=1S/C10H5F3N2O2/c11-10(12,13)8-7(9(16)17)14-5-3-1-2-4-6(5)15-8/h1-4H,(H,16,17)
InChI Key:
CALWBEPGJZCNIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2ccccc2nc1C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.157g/mol
Monoisotopic Mass:
242.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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