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112936-50-2 | Urea, N-butyl-N'-(2-hydroxy-4-iodophenyl)-
CAS No: 112936-50-2 Catalog No: AG0081NX MDL No:
Product Description
Catalog Number:
AG0081NX
Chemical Name:
Urea, N-butyl-N'-(2-hydroxy-4-iodophenyl)-
CAS Number:
112936-50-2
Molecular Formula:
C11H15IN2O2
Molecular Weight:
334.1535
IUPAC Name:
1-butyl-3-(2-hydroxy-4-iodophenyl)urea
InChI:
InChI=1S/C11H15IN2O2/c1-2-3-6-13-11(16)14-9-5-4-8(12)7-10(9)15/h4-5,7,15H,2-3,6H2,1H3,(H2,13,14,16)
InChI Key:
JNBUXQOVGDBCJN-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Nc1ccc(cc1O)I
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
334.157g/mol
Monoisotopic Mass:
334.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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