| CAS Number | 1099653-55-0 |
| Catalog Number | AG019Y3M |
| Chemical Name | 1-(4-Bromophenyl)pentan-3-one |
| IUPAC Name | 1-(4-bromophenyl)pentan-3-one |
| InChI | InChI=1S/C11H13BrO/c1-2-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3 |
| InChI Key | OJRCYJXPCRXMLO-UHFFFAOYSA-N |
| MDL Number | MFCD11655248 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | CCC(CCC1=CC=C(Br)C=C1)=O |
| Synonyms | 1-(4-bromophenyl)pentan-3-one,
1099653-55-0,
AC1Q2ROX,
Ethyl 4-bromophenethyl ketone,
CTK6C6599,
ZINC36683742,
AKOS009389688,
MCULE-3164620786,
NE15264,
EN300-56911,
Z1245633903,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number