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13114-95-9 | Urea, N-(4-iodophenyl)-
CAS No: 13114-95-9 Catalog No: AG000VM4 MDL No:MFCD00025430
Product Description
Catalog Number:
AG000VM4
Chemical Name:
Urea, N-(4-iodophenyl)-
CAS Number:
13114-95-9
Molecular Formula:
C7H7IN2O
Molecular Weight:
262.0478
MDL Number:
MFCD00025430
IUPAC Name:
(4-iodophenyl)urea
InChI:
InChI=1S/C7H7IN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
ODUUOXCQVDVOJL-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)I
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.96g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.05g/mol
Monoisotopic Mass:
261.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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