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293737-98-1 | 2H-Benzotriazol-5-amine, 2-(4-fluorophenyl)-
CAS No: 293737-98-1 Catalog No: AG002Y6Y MDL No:MFCD02063074
Product Description
Catalog Number:
AG002Y6Y
Chemical Name:
2H-Benzotriazol-5-amine, 2-(4-fluorophenyl)-
CAS Number:
293737-98-1
Molecular Formula:
C12H9FN4
Molecular Weight:
228.2251
MDL Number:
MFCD02063074
IUPAC Name:
2-(4-fluorophenyl)benzotriazol-5-amine
InChI:
InChI=1S/C12H9FN4/c13-8-1-4-10(5-2-8)17-15-11-6-3-9(14)7-12(11)16-17/h1-7H,14H2
InChI Key:
YJHJTROQFRJDDB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1nc2c(n1)ccc(c2)N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.23g/mol
Monoisotopic Mass:
228.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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