| CAS Number | 87010-95-5 |
| Catalog Number | AG004NRD(AGN-PC-0KGN05) |
| Chemical Name | 1-(4-Bromophenyl)-2-chloropropan-1-one |
| IUPAC Name | 1-(4-bromophenyl)-2-chloropropan-1-one |
| InChI | InChI=1S/C9H8BrClO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,1H3 |
| InChI Key | XWLIUMZBOPOTCS-UHFFFAOYSA-N |
| MDL Number | MFCD04610438 |
| Molecular Formula | C9H8BrClO |
| Molecular Weight | 247.5162 |
| SMILES | CC(Cl)C(C1=CC=C(Br)C=C1)=O |
| Synonyms | 1-(4-bromophenyl)-2-chloropropan-1-one,
1-(4-Bromo-phenyl)-2-chloro-propan-1-one,
87010-95-5,
AC1MWSNE,
AC1Q1R3D,
4'-Bromo-2-chloropropiophenone,
SCHEMBL10361494,
CTK5F7608,
alpha-Chloro-4'-bromopropiophenone,
MFCD04610438,
AKOS000116514,
AKOS017269059,
MCULE-2205556704,
NE12865,
EN300-06116,
J-503249,
ZINC03337369,
CID3779309,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.516g/mol |
| Monoisotopic Mass | 245.945g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number