| CAS Number | 1451085-08-7 |
| Catalog Number | AG01B1AS |
| Chemical Name | Methyl 3-(4-bromophenyl)cyclobutanecarboxylate |
| IUPAC Name | methyl 3-(4-bromophenyl)cyclobutane-1-carboxylate |
| InChI | InChI=1S/C12H13BrO2/c1-15-12(14)10-6-9(7-10)8-2-4-11(13)5-3-8/h2-5,9-10H,6-7H2,1H3 |
| InChI Key | BCNPYQCFSBDXKN-UHFFFAOYSA-N |
| MDL Number | MFCD28012181 |
| Molecular Formula | C12H13BrO2 |
| Molecular Weight | 269.1344 |
| SMILES | COC(=O)C1CC(C1)C2=CC=C(C=C2)Br |
| Synonyms | 1451085-08-7,
METHYL 3-(4-BROMOPHENYL)CYCLOBUTANECARBOXYLATE,
methyl 3-(4-bromophenyl)cyclobutane-1-carboxylate,
SCHEMBL15192136,
BCNPYQCFSBDXKN-UHFFFAOYSA-N,
MFCD28012181,
ZINC71257302,
AKOS027335308,
MCULE-7787936399,
Z1827898539,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.138g/mol |
| Monoisotopic Mass | 268.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number