| CAS Number | 32278-29-8 |
| Catalog Number | AG00CL7E(AGN-PC-0NIUYL) |
| Chemical Name | 4-Bromo-2,2-dimethyl-3-pentanone |
| IUPAC Name | 4-bromo-2,2-dimethylpentan-3-one |
| InChI | InChI=1S/C7H13BrO/c1-5(8)6(9)7(2,3)4/h5H,1-4H3 |
| InChI Key | DZHSIOPOJHOGKT-UHFFFAOYSA-N |
| MDL Number | MFCD20621245 |
| Molecular Formula | C7H13BrO |
| Molecular Weight | 193.0815 |
| SMILES | CC(C(=O)C(C)(C)C)Br |
| Synonyms | 4-Bromo-2,2-dimethyl-3-pentanone,
32278-29-8,
4-bromo-2,2-dimethylpentan-3-one,
SCHEMBL6218904,
DZHSIOPOJHOGKT-UHFFFAOYSA-N,
4-Bromo-2,2-dimethyl-pentan-3-one,
3-Pentanone, 4-bromo-2,2-dimethyl-,
CS-11956,
DA-39967,
SY034180,
FT-0757918,
MFCD20621245 (95%),
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.01498g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.08g/mol |
| Monoisotopic Mass | 192.01498g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number