| CAS Number | 75369-41-4 |
| Catalog Number | AG00ICML(AGN-PC-00PDPL) |
| Chemical Name | 1-(3-Bromomethyl-phenyl)-ethanone |
| IUPAC Name | 1-[3-(bromomethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H9BrO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3 |
| InChI Key | TZVOWUZAOVUUBP-UHFFFAOYSA-N |
| MDL Number | MFCD22209872 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | CC(C1=CC(CBr)=CC=C1)=O |
| Synonyms | 1-(3-Bromomethyl-phenyl)-ethanone,
75369-41-4,
1-(3-(bromomethyl)phenyl)ethanone,
1-[3-(bromomethyl)phenyl]ethanone,
Ethanone, 1-[3-(bromomethyl)phenyl]-,
3-acetylbenzyl bromide,
3'-Bromomethylacetophenone,
SCHEMBL599749,
TZVOWUZAOVUUBP-UHFFFAOYSA-N,
MFCD22209872,
ZINC34568124,
AKOS030627619,
1-[3-(Bromomethyl)phenyl]ethan-1-one,
AM805906,
CS-0038988,
A1-06400,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number