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16363-53-4 | 6-Benzoxazolamine, 2-(4-aminophenyl)-
CAS No: 16363-53-4 Catalog No: AG001UAW MDL No:MFCD00451476
Product Description
Catalog Number:
AG001UAW
Chemical Name:
6-Benzoxazolamine, 2-(4-aminophenyl)-
CAS Number:
16363-53-4
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
MDL Number:
MFCD00451476
IUPAC Name:
2-(4-aminophenyl)-1,3-benzoxazol-6-amine
InChI:
InChI=1S/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2
InChI Key:
IBKFNGCWUPNUHY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1oc2c(n1)ccc(c2)N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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