| CAS Number | 18740-35-7 |
| Catalog Number | AG019WZ9(AGN-PC-002YOC) |
| Chemical Name | [(4-Nitrophenyl)methyl]urea |
| IUPAC Name | (4-nitrophenyl)methylurea |
| InChI | InChI=1S/C8H9N3O3/c9-8(12)10-5-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H3,9,10,12) |
| InChI Key | JTVLKCKOMVXJQH-UHFFFAOYSA-N |
| MDL Number | MFCD13195911 |
| Molecular Formula | C8H9N3O3 |
| Molecular Weight | 195.1754 |
| SMILES | NC(NCC1=CC=C([N+]([O-])=O)C=C1)=O |
| Synonyms | [(4-nitrophenyl)methyl]urea,
18740-35-7,
(4-nitro-benzyl)-urea,
AC1Q4ZWO,
SCHEMBL4587579,
JTVLKCKOMVXJQH-UHFFFAOYSA-N,
ZINC34406648,
AKOS008143201,
MCULE-4354205226,
NE15714,
EN300-53592,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.178g/mol |
| Monoisotopic Mass | 195.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number