| CAS Number | 99911-94-1 |
| Catalog Number | AG00IKCU(AGN-PC-0NEXV2) |
| Chemical Name | phenyl N-(phenoxycarbonyl)carbamate |
| IUPAC Name | phenyl N-phenoxycarbonylcarbamate |
| InChI | InChI=1S/C14H11NO4/c16-13(18-11-7-3-1-4-8-11)15-14(17)19-12-9-5-2-6-10-12/h1-10H,(H,15,16,17) |
| InChI Key | FOXXAQRNEIMDEC-UHFFFAOYSA-N |
| MDL Number | MFCD27980609 |
| Molecular Formula | C14H11NO4 |
| Molecular Weight | 257.2414 |
| SMILES | O(C1=CC=CC=C1)C(=O)NC(OC1=CC=CC=C1)=O |
| Synonyms | Diphenyl imidodicarboxylate,
99911-94-1,
diphenyl imidodicarbonate,
SCHEMBL2551644,
FOXXAQRNEIMDEC-UHFFFAOYSA-N,
Iminobisformic acid diphenyl ester,
phenyl N-(phenoxycarbonyl)carbamate,
KS-000022RY,
ZINC44029799,
AKOS025392409,
AS-7082,
OR310619,
Phenyl N-phenoxycarbonylcarbamate,
CID11043392,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.245g/mol |
| Monoisotopic Mass | 257.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number