| CAS Number | 658076-48-3 |
| Catalog Number | AG00G1F6(AGN-PC-0OFG5W) |
| Chemical Name | 1-Bromo-3-cyclopropylpropan-2-one |
| IUPAC Name | 1-bromo-3-cyclopropylpropan-2-one |
| InChI | InChI=1S/C6H9BrO/c7-4-6(8)3-5-1-2-5/h5H,1-4H2 |
| InChI Key | HZBAJDUXDQLYQX-UHFFFAOYSA-N |
| MDL Number | MFCD18815931 |
| Molecular Formula | C6H9BrO |
| Molecular Weight | 177.0391 |
| SMILES | BrCC(CC1CC1)=O |
| Synonyms | 1-bromo-3-cyclopropylpropan-2-one,
658076-48-3,
SCHEMBL6203966,
HZBAJDUXDQLYQX-UHFFFAOYSA-N,
ZINC39128170,
AKOS017413464,
NE39881,
2-Propanone, 1-bromo-3-cyclopropyl-,
2-Propanone,1-bromo-3-cyclopropyl-,
2-Propanone, 1-bromo-3-cyclopropyl-,
|
| Complexity | 96.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.041g/mol |
| Monoisotopic Mass | 175.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number