| CAS Number | 1256276-36-4 |
| Catalog Number | AG009J1C(AGN-PC-0WOLRN) |
| Chemical Name | (4-Bromo-3,5-difluorophenyl)methanol |
| IUPAC Name | (4-bromo-3,5-difluorophenyl)methanol |
| InChI | InChI=1S/C7H5BrF2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2,11H,3H2 |
| InChI Key | WPYAMPHDUWZYDH-UHFFFAOYSA-N |
| MDL Number | MFCD22381218 |
| Molecular Formula | C7H5BrF2O |
| Molecular Weight | 223.0148 |
| SMILES | C1=C(C=C(C(=C1F)Br)F)CO |
| Synonyms | (4-bromo-3,5-difluorophenyl)methanol,
1256276-36-4,
4-bromo-3,5-difluorobenzyl alcohol,
SCHEMBL855473,
WPYAMPHDUWZYDH-UHFFFAOYSA-N,
4-Bromo-3,5-difluorobenzenemethanol,
MFCD22381218,
ZINC82100208,
NE47955,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.017g/mol |
| Monoisotopic Mass | 221.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number