| CAS Number | 99548-44-4 |
| Catalog Number | AG01C5QC |
| Chemical Name | 2-Chloroethyl N-(2-bromophenyl)carbamate |
| IUPAC Name | 2-chloroethyl N-(2-bromophenyl)carbamate |
| InChI | InChI=1S/C9H9BrClNO2/c10-7-3-1-2-4-8(7)12-9(13)14-6-5-11/h1-4H,5-6H2,(H,12,13) |
| InChI Key | LCQDLUQFTMEYOY-UHFFFAOYSA-N |
| MDL Number | MFCD01006616 |
| Molecular Formula | C9H9BrClNO2 |
| Molecular Weight | 278.5303 |
| SMILES | ClCCOC(NC1=C(Br)C=CC=C1)=O |
| Synonyms | 2-chloroethyl N-(2-bromophenyl)carbamate,
99548-44-4,
AKOS029898722,
ZINC243289792,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.53g/mol |
| Monoisotopic Mass | 276.951g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number