| CAS Number | 55183-48-7 |
| Catalog Number | AG01A9RN |
| Chemical Name | 1,3-Dichloropropan-2-yl chloroformate |
| IUPAC Name | 1,3-dichloropropan-2-yl carbonochloridate |
| InChI | InChI=1S/C4H5Cl3O2/c5-1-3(2-6)9-4(7)8/h3H,1-2H2 |
| InChI Key | WPRAJCBWNFZEAS-UHFFFAOYSA-N |
| MDL Number | MFCD16622204 |
| Molecular Formula | C4H5Cl3O2 |
| Molecular Weight | 191.4403 |
| SMILES | ClCC(OC(Cl)=O)CCl |
| Synonyms | 1,3-dichloropropan-2-yl chloroformate,
55183-48-7,
AC1Q3TT3,
SCHEMBL8055213,
ZINC100070817,
NE38605,
EN300-65949,
chlorocarbonic acid-(beta,beta'-dichloro-isopropyl ester),
|
| Complexity | 91.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.432g/mol |
| Monoisotopic Mass | 189.936g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number