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166196-11-8 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-[(2,6-difluorophenyl)methyl]-
CAS No: 166196-11-8 Catalog No: AG001WKP MDL No:MFCD09955379
Product Description
Catalog Number:
AG001WKP
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(2,6-difluorophenyl)methyl]-
CAS Number:
166196-11-8
Molecular Formula:
C10H7F2N3O2
Molecular Weight:
239.1783
MDL Number:
MFCD09955379
IUPAC Name:
1-[(2,6-difluorophenyl)methyl]triazole-4-carboxylic acid
InChI:
InChI=1S/C10H7F2N3O2/c11-7-2-1-3-8(12)6(7)4-15-5-9(10(16)17)13-14-15/h1-3,5H,4H2,(H,16,17)
InChI Key:
OPJHWTKDQYKYHL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Cn1nnc(c1)C(=O)O)F
EC Number:
924-100-7
UNII:
266244C47B
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.182g/mol
Monoisotopic Mass:
239.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Investigation of the metabolism of rufinamide and its interaction with valproate. | Drug metabolism letters 20111201 |
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