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13262-48-1 | Urea, N-[1,1'-biphenyl]-4-yl-
CAS No: 13262-48-1 Catalog No: AG0010X2 MDL No:MFCD02380024
Product Description
Catalog Number:
AG0010X2
Chemical Name:
Urea, N-[1,1'-biphenyl]-4-yl-
CAS Number:
13262-48-1
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD02380024
IUPAC Name:
(4-phenylphenyl)urea
InChI:
InChI=1S/C13H12N2O/c14-13(16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H3,14,15,16)
InChI Key:
FAVOSJNIJZMFAB-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)c1ccccc1
EC Number:
236-257-2
NSC Number:
406090
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Novel ATP-competitive kinesin spindle protein inhibitors. | Journal of medicinal chemistry 20071004 |
| N-(4-Biphenylyl)urea. | Acta crystallographica. Section C, Crystal structure communications 20010601 |
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