| CAS Number | 57045-26-8 |
| Catalog Number | AG01B9ZK(AGN-PC-00L311) |
| Chemical Name | 4-(Chlorocarbonyl)phenyl ethyl carbonate |
| IUPAC Name | (4-carbonochloridoylphenyl) ethyl carbonate |
| InChI | InChI=1S/C10H9ClO4/c1-2-14-10(13)15-8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3 |
| InChI Key | ZEKLCHCUARAYTN-UHFFFAOYSA-N |
| MDL Number | MFCD28397451 |
| Molecular Formula | C10H9ClO4 |
| Molecular Weight | 228.6291 |
| SMILES | CCOC(OC1=CC=C(C(Cl)=O)C=C1)=O |
| Synonyms | 57045-26-8,
4-(Chlorocarbonyl)phenyl ethyl carbonate,
4-(carbonochloridoyl)phenyl ethyl carbonate,
SCHEMBL929726,
CTK1F3116,
DTXSID30521016,
p-ethoxycarbonyloxybenzoyl chloride,
ZEKLCHCUARAYTN-UHFFFAOYSA-N,
4-ethoxycarbonyloxybenzoyl chloride,
ZINC39405302,
AKOS030611856,
4-(Ethoxycarbonyloxy)benzoic acid chloride,
Carbonic acid, 4-(chlorocarbonyl)phenyl ethyl ester,
(4-carbonochloridoylphenyl) ethyl carbonate,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.628g/mol |
| Monoisotopic Mass | 228.019g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number