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116311-29-6 | Urea, N'-methyl-N-1-naphthalenyl-N-phenyl-
CAS No: 116311-29-6 Catalog No: AG000C65 MDL No:
Product Description
Catalog Number:
AG000C65
Chemical Name:
Urea, N'-methyl-N-1-naphthalenyl-N-phenyl-
CAS Number:
116311-29-6
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
3-methyl-1-naphthalen-1-yl-1-phenylurea
InChI:
InChI=1S/C18H16N2O/c1-19-18(21)20(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3,(H,19,21)
InChI Key:
BOAMNRJABLNRBO-UHFFFAOYSA-N
SMILES:
CNC(=O)N(c1cccc2c1cccc2)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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