| CAS Number | 457658-05-8 |
| Catalog Number | AG01EL5K(AGN-PC-03GWI9) |
| Chemical Name | (3-Iodophenyl)urea |
| 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 |
| MDL Number | MFCD11183382 |
| Molecular Formula | C7H7IN2O |
| Molecular Weight | 262.0478 |
| SMILES | NC(NC1=CC(I)=CC=C1)=O |
| Synonyms | 3-iodophenylurea,
N-meta-iodophenyl urea,
N-(3-Iodophenyl)urea,
457658-05-8,
(3-iodophenyl)urea,
Metajodphenylharnstoff,
SCHEMBL5180715,
OSCNSMUGOQHBLN-UHFFFAOYSA-N,
ZINC20362170,
AKOS009095957,
J3.629.377B,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number