| CAS Number | 50972-20-8 |
| Catalog Number | AG00DFGF(AGN-PC-00N1T7) |
| Chemical Name | Phenyl 1-Chloroethyl Carbonate |
| IUPAC Name | 1-chloroethyl phenyl carbonate |
| InChI | InChI=1S/C9H9ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h2-7H,1H3 |
| InChI Key | RLCSVIMOWLKELL-UHFFFAOYSA-N |
| MDL Number | MFCD30719991 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | C(OC(C)Cl)(OC1=CC=CC=C1)=O |
| Synonyms | 1-chloroethyl phenyl carbonate,
carbonic acid 1-chloroethyl phenyl ester,
50972-20-8,
Phenyl 1-Chloroethyl Carbonate,
SCHEMBL4492405,
DTXSID60543786,
RLCSVIMOWLKELL-UHFFFAOYSA-N,
Carbonic acid phenyl(1-chloroethyl) ester,
FT-0664269,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number