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86781-29-5 | Urea, N,N-dibutyl-N'-(4-iodophenyl)-
CAS No: 86781-29-5 Catalog No: AG004S1A MDL No:
Product Description
Catalog Number:
AG004S1A
Chemical Name:
Urea, N,N-dibutyl-N'-(4-iodophenyl)-
CAS Number:
86781-29-5
Molecular Formula:
C15H23IN2O
Molecular Weight:
374.2604
IUPAC Name:
1,1-dibutyl-3-(4-iodophenyl)urea
InChI:
InChI=1S/C15H23IN2O/c1-3-5-11-18(12-6-4-2)15(19)17-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChI Key:
VJEDPFYJNAODPX-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1)I)CCCC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.266g/mol
Monoisotopic Mass:
374.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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