| CAS Number | 80196-03-8 |
| Catalog Number | AG01A5VE(AGN-PC-00MUH0) |
| Chemical Name | 1-Chloroethyl methyl carbonate |
| IUPAC Name | 1-chloroethyl methyl carbonate |
| InChI | InChI=1S/C4H7ClO3/c1-3(5)8-4(6)7-2/h3H,1-2H3 |
| InChI Key | CERXDWLUWLFFEK-UHFFFAOYSA-N |
| MDL Number | MFCD20621949 |
| Molecular Formula | C4H7ClO3 |
| Molecular Weight | 138.5496 |
| SMILES | C(OC(C)Cl)(OC)=O |
| Synonyms | 1-chloroethyl methyl carbonate,
80196-03-8,
Methyl 1-chloroethyl carbonate,
SCHEMBL1036103,
alpha-chloroethyl methyl carbonate,
CERXDWLUWLFFEK-UHFFFAOYSA-N,
Carbonic acid=1-chloroethyl=methyl,
AKOS026727882,
NE32529,
Carbonic acid, 1-chloroethyl methyl ester,
Carbonicacid,1-chloroethylmethylester,
|
| Complexity | 83.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.547g/mol |
| Monoisotopic Mass | 138.008g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number