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136863-93-9 | Urea, N-(4-bromophenyl)-N'-(2-iodo-1,1-diphenylethyl)-
CAS No: 136863-93-9 Catalog No: AG0012IE MDL No:
Product Description
Catalog Number:
AG0012IE
Chemical Name:
Urea, N-(4-bromophenyl)-N'-(2-iodo-1,1-diphenylethyl)-
CAS Number:
136863-93-9
Molecular Formula:
C21H18BrIN2O
Molecular Weight:
521.1889
IUPAC Name:
1-(4-bromophenyl)-3-(2-iodo-1,1-diphenylethyl)urea
InChI:
InChI=1S/C21H18BrIN2O/c22-18-11-13-19(14-12-18)24-20(26)25-21(15-23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H2,24,25,26)
InChI Key:
MGBSBCOOAKIFKK-UHFFFAOYSA-N
SMILES:
ICC(c1ccccc1)(c1ccccc1)NC(=O)Nc1ccc(cc1)Br
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.965g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
521.196g/mol
Monoisotopic Mass:
519.965g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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