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457658-05-8 | (3-iodophenyl)urea
CAS No: 457658-05-8 Catalog No: AG01EL5K MDL No:MFCD11183382
Product Description
Catalog Number:
AG01EL5K
Chemical Name:
(3-iodophenyl)urea
CAS Number:
457658-05-8
Molecular Formula:
C7H7IN2O
Molecular Weight:
262.0478
MDL Number:
MFCD11183382
IUPAC Name:
(3-iodophenyl)urea
InChI:
InChI=1S/C7H7IN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
OSCNSMUGOQHBLN-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccc(c1)I
Properties
Complexity:
151
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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