| CAS Number | 98015-51-1 |
| Catalog Number | AG01DUDA(AGN-PC-00N1T5) |
| Chemical Name | 1-Chloroethyl tert-butyl carbonate |
| IUPAC Name | tert-butyl 1-chloroethyl carbonate |
| InChI | InChI=1S/C7H13ClO3/c1-5(8)10-6(9)11-7(2,3)4/h5H,1-4H3 |
| InChI Key | KDXWFUGPHWFKSZ-UHFFFAOYSA-N |
| MDL Number | MFCD20621700 |
| Molecular Formula | C7H13ClO3 |
| Molecular Weight | 180.6293 |
| SMILES | C(OC(C)Cl)(OC(C)(C)C)=O |
| Synonyms | SCHEMBL1171711,
1-chloroethyl t-butyl carbonate,
KDXWFUGPHWFKSZ-UHFFFAOYSA-N,
tert-butyl 1-chloroethyl carbonate,
alpha-chloroethyl tert-butyl carbonate,
Carbonic acid tert-butyl(1-chloroethyl) ester,
Carbonic acid, 1-chloroethyl 1,1-dimethylethyl ester,
98015-51-1,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.628g/mol |
| Monoisotopic Mass | 180.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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