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86764-55-8 | Urea, N'-(3-chloro-2-methylphenyl)-N,N-bis(phenylmethyl)-
CAS No: 86764-55-8 Catalog No: AG004N7L MDL No:
Product Description
Catalog Number:
AG004N7L
Chemical Name:
Urea, N'-(3-chloro-2-methylphenyl)-N,N-bis(phenylmethyl)-
CAS Number:
86764-55-8
Molecular Formula:
C22H21ClN2O
Molecular Weight:
364.8679
IUPAC Name:
1,1-dibenzyl-3-(3-chloro-2-methylphenyl)urea
InChI:
InChI=1S/C22H21ClN2O/c1-17-20(23)13-8-14-21(17)24-22(26)25(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H,24,26)
InChI Key:
ZCXXQJWBFZKNCZ-UHFFFAOYSA-N
SMILES:
O=C(N(Cc1ccccc1)Cc1ccccc1)Nc1cccc(c1C)Cl
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.134g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.873g/mol
Monoisotopic Mass:
364.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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