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860785-08-6 | 3-(1,3-benzoxazol-6-yl)-1-phenylurea
CAS No: 860785-08-6 Catalog No: AG00IWNY MDL No:MFCD03617883
Product Description
Catalog Number:
AG00IWNY
Chemical Name:
3-(1,3-benzoxazol-6-yl)-1-phenylurea
CAS Number:
860785-08-6
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD03617883
IUPAC Name:
1-(1,3-benzoxazol-6-yl)-3-phenylurea
InChI:
InChI=1S/C14H11N3O2/c18-14(16-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)19-9-15-12/h1-9H,(H2,16,17,18)
InChI Key:
LVYYYGYPLRINRU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1ccc2c(c1)ocn2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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