| CAS Number | 885953-19-5 |
| Catalog Number | AG01DTEN |
| Chemical Name | 3-BROMO-CYCLOPENTANECARBOXYLIC ACID, Mixture of diastereomers |
| IUPAC Name | 3-bromocyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C6H9BrO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3H2,(H,8,9) |
| InChI Key | LATBCFLVKUVJLV-UHFFFAOYSA-N |
| MDL Number | MFCD04038492 |
| Molecular Formula | C6H9BrO2 |
| Molecular Weight | 193.0385 |
| SMILES | C1CC(CC1C(=O)O)Br |
| Synonyms | 3-bromocyclopentanecarboxylic acid,
3-Bromo-cyclopentanecarboxylic acid,
FT-0707999,
B50005,
3-BROMO-CYCLOPENTANECARBOXYLIC ACID, Mixture of diastereomers,
CID5053971,
885953-19-5,
3-bromocyclopentane-1-carboxylic Acid,
AC1NMNJH,
CTK5I6946,
Cyclopentanecarboxylicacid,3-bromo-,
MFCD04038492,
AKOS006294148,
DA-01819,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.04g/mol |
| Monoisotopic Mass | 191.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number