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15145-46-7 | Urea, N-(2-iodoethyl)-N'-(4-methylphenyl)-
CAS No: 15145-46-7 Catalog No: AG001NCT MDL No:
Product Description
Catalog Number:
AG001NCT
Chemical Name:
Urea, N-(2-iodoethyl)-N'-(4-methylphenyl)-
CAS Number:
15145-46-7
Molecular Formula:
C10H13IN2O
Molecular Weight:
304.1275
IUPAC Name:
1-(2-iodoethyl)-3-(4-methylphenyl)urea
InChI:
InChI=1S/C10H13IN2O/c1-8-2-4-9(5-3-8)13-10(14)12-7-6-11/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChI Key:
AIZVQULRTJJXPC-UHFFFAOYSA-N
SMILES:
ICCNC(=O)Nc1ccc(cc1)C
NSC Number:
107542
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.131g/mol
Monoisotopic Mass:
304.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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