| CAS Number | 156329-70-3 |
| Catalog Number | AG019RV5(AGN-PC-0MYTNN) |
| Chemical Name | 3-Bromobicyclo[1.1.1]pentane-1-carboxylic acid |
| IUPAC Name | 3-bromobicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C6H7BrO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9) |
| InChI Key | VWLOBPGTTZYAPT-UHFFFAOYSA-N |
| MDL Number | MFCD20621126 |
| Molecular Formula | C6H7BrO2 |
| Molecular Weight | 191.0226 |
| SMILES | O=C(C1(C2)CC2(Br)C1)O |
| Synonyms | 3-bromobicyclo[1.1.1]pentane-1-carboxylic Acid,
156329-70-3,
ZINC34216571,
AKOS024255980,
NE60248,
CS-0078477,
CID10104007,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.024g/mol |
| Monoisotopic Mass | 189.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number