| CAS Number | 1236357-64-4 |
| Catalog Number | AG009W5U |
| Chemical Name | 1-(4-Bromophenyl)cyclopentanecarboxylic acid methyl ester |
| IUPAC Name | methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate |
| InChI | InChI=1S/C13H15BrO2/c1-16-12(15)13(8-2-3-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChI Key | KIYRMNOQZGCLMC-UHFFFAOYSA-N |
| MDL Number | MFCD18711571 |
| Molecular Formula | C13H15BrO2 |
| Molecular Weight | 283.1610 |
| SMILES | BrC1=CC=C(C=C1)C1(CCCC1)C(=O)OC |
| Synonyms | 1236357-64-4,
METHYL 1-(4-BROMOPHENYL)CYCLOPENTANECARBOXYLATE,
methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate,
1-(4-Bromophenyl)cyclopentanecarboxylic acid methyl ester,
1-(4-Bromo-phenyl)-cyclopentanecarboxylic acid methyl ester,
SCHEMBL3054538,
DTXSID70695144,
KIYRMNOQZGCLMC-UHFFFAOYSA-N,
MFCD18711571,
ZINC66054904,
AKOS027254184,
AS-36037,
Z-9231,
Cyclopentanecarboxylic acid,1-(4-bromophenyl)-,methyl ester,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.165g/mol |
| Monoisotopic Mass | 282.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number