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13114-96-0 | Urea, N-(2-cyanophenyl)-N'-phenyl-
CAS No: 13114-96-0 Catalog No: AG000VM3 MDL No:MFCD00033190
Product Description
Catalog Number:
AG000VM3
Chemical Name:
Urea, N-(2-cyanophenyl)-N'-phenyl-
CAS Number:
13114-96-0
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
MDL Number:
MFCD00033190
IUPAC Name:
1-(2-cyanophenyl)-3-phenylurea
InChI:
InChI=1S/C14H11N3O/c15-10-11-6-4-5-9-13(11)17-14(18)16-12-7-2-1-3-8-12/h1-9H,(H2,16,17,18)
InChI Key:
WJBBZNVIKICMHI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NC(=O)Nc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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