| CAS Number | 39545-30-7 |
| Catalog Number | AG01ALR1(AGN-PC-00LWX1) |
| Chemical Name | (3-Chlorophenyl)methyl chloroformate |
| IUPAC Name | (3-chlorophenyl)methyl carbonochloridate |
| InChI | InChI=1S/C8H6Cl2O2/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2 |
| InChI Key | ABNOKJAUAHDRQI-UHFFFAOYSA-N |
| MDL Number | MFCD24141289 |
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 205.0380 |
| SMILES | ClC(OCC1=CC(Cl)=CC=C1)=O |
| Synonyms | (3-chlorophenyl)methyl chloroformate,
39545-30-7,
3-chlorobenzyl carbonochloridate,
m-chlorobenzyl chloroformate,
3-Chlorobenzyl Chloroformate,
SCHEMBL134801,
3-chlorobenzyloxycarbonyl chloride,
ABNOKJAUAHDRQI-UHFFFAOYSA-N,
ZINC39475308,
AKOS020226196,
49782-76-5,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.034g/mol |
| Monoisotopic Mass | 203.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number