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87597-64-6 | Urea,N-(3-cyanophenyl)-N'-phenyl-
CAS No: 87597-64-6 Catalog No: AG004LZO MDL No:MFCD02026281
Product Description
Catalog Number:
AG004LZO
Chemical Name:
Urea,N-(3-cyanophenyl)-N'-phenyl-
CAS Number:
87597-64-6
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
MDL Number:
MFCD02026281
IUPAC Name:
1-(3-cyanophenyl)-3-phenylurea
InChI:
InChI=1S/C14H11N3O/c15-10-11-5-4-8-13(9-11)17-14(18)16-12-6-2-1-3-7-12/h1-9H,(H2,16,17,18)
InChI Key:
TVYKDMRXLMUPEA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC(=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:
2.6
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