| CAS Number | 292623-33-7 |
| Catalog Number | AG01C4A5(AGN-PC-00HRIO) |
| Chemical Name | 2-Bromo-1-methylcyclopropane-1-carboxylic acid |
| IUPAC Name | 2-bromo-1-methylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C5H7BrO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8) |
| InChI Key | AQAFCWJNUSCJIA-UHFFFAOYSA-N |
| MDL Number | MFCD00760331 |
| Molecular Formula | C5H7BrO2 |
| Molecular Weight | 179.0119 |
| SMILES | CC1(C(O)=O)C(Br)C1 |
| Synonyms | 2-Bromo-1-methyl-cyclopropanecarboxylic acid,
292623-33-7,
2-bromo-1-methylcyclopropane-1-carboxylic acid,
AC1NO2DC,
SCHEMBL20570308,
AKOS030239057,
QC-3605,
2-bromo-1-methylcyclopropanecarboxylic acid,
DB-008798,
2-bromo-1-methyl-1-cyclopropanecarboxylic acid,
trans-2-bromo-1-methylcyclopropanecarboxylic acid,
CID5131156,
2-bromo-1-methyl-cyclopropane-1-carboxylic Acid,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.013g/mol |
| Monoisotopic Mass | 177.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number