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Home > Fluorides > 148004-77-7
148004-77-7 | 1-[(2-Fluorophenyl)methyl]-1H-1,2,3-benzotriazole
CAS No: 148004-77-7 Catalog No: AG01EU7N MDL No:
Product Description
Catalog Number:
AG01EU7N
Chemical Name:
1-[(2-Fluorophenyl)methyl]-1H-1,2,3-benzotriazole
CAS Number:
148004-77-7
Molecular Formula:
C13H10FN3
Molecular Weight:
227.2370
IUPAC Name:
1-[(2-fluorophenyl)methyl]benzotriazole
InChI:
InChI=1S/C13H10FN3/c14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)15-16-17/h1-8H,9H2
InChI Key:
XKZKINMEZTYWQV-UHFFFAOYSA-N
SMILES:
Fc1ccccc1Cn1nnc2c1cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.242g/mol
Monoisotopic Mass:
227.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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