| CAS Number | 171417-14-4 |
| Catalog Number | AG01BEL0(AGN-PC-034M86) |
| Chemical Name | 2-(4-Bromophenyl)propane-1,2-diol |
| IUPAC Name | 2-(4-bromophenyl)propane-1,2-diol |
| InChI | InChI=1S/C9H11BrO2/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,11-12H,6H2,1H3 |
| InChI Key | QSSPOQOHIKXTNW-UHFFFAOYSA-N |
| MDL Number | MFCD24287562 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | CC(C1=CC=C(Br)C=C1)(CO)O |
| Synonyms | 2-(4-bromophenyl)propane-1,2-diol,
171417-14-4,
SCHEMBL6483148,
MFCD24287562,
2-(4-Bromophenyl)-1,2-propanediol,
AKOS021031494,
BS-12454,
Z2466617826,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number