| CAS Number | 50594-97-3 |
| Catalog Number | AG003O7G(AGN-PC-000MIE) |
| Chemical Name | Bis(1-chloroethyl) carbonate |
| IUPAC Name | bis(1-chloroethyl) carbonate |
| InChI | InChI=1S/C5H8Cl2O3/c1-3(6)9-5(8)10-4(2)7/h3-4H,1-2H3 |
| InChI Key | MZFKWPWFMYRWPP-UHFFFAOYSA-N |
| MDL Number | MFCD20622709 |
| Molecular Formula | C5H8Cl2O3 |
| Molecular Weight | 187.0212 |
| SMILES | C(OC(C)Cl)(OC(C)Cl)=O |
| Synonyms | bis(1-chloroethyl) carbonate,
50594-97-3,
AK402194,
a-chloroethyl carbonate,
SCHEMBL609519,
MFCD20622709,
AKOS027250622,
carbonic acid bis(1-chloroethyl) ester,
FCH1201669,
DS-13359,
KS-00000198,
Ethanol,1-chloro-,carbonate(2:1),
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.016g/mol |
| Monoisotopic Mass | 185.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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