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439136-81-9 | 5-(6-Methyl-benzooxazol-2-yl)-benzene-1,3-diamine
CAS No: 439136-81-9 Catalog No: AG01F9DK MDL No:
Product Description
Catalog Number:
AG01F9DK
Chemical Name:
5-(6-Methyl-benzooxazol-2-yl)-benzene-1,3-diamine
CAS Number:
439136-81-9
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
5-(6-methyl-1,3-benzoxazol-2-yl)benzene-1,3-diamine
InChI:
InChI=1S/C14H13N3O/c1-8-2-3-12-13(4-8)18-14(17-12)9-5-10(15)7-11(16)6-9/h2-7H,15-16H2,1H3
InChI Key:
NFWUJCSBGBVBPE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc(n2)c1cc(N)cc(c1)N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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