| CAS Number | 476620-55-0 |
| Catalog Number | AG00DPSC(AGN-PC-0BVHTS) |
| Chemical Name | (2-Bromo-4,5-difluorophenyl)methanol |
| IUPAC Name | (2-bromo-4,5-difluorophenyl)methanol |
| InChI | InChI=1S/C7H5BrF2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2 |
| InChI Key | PXNMZIPQCOVDEU-UHFFFAOYSA-N |
| MDL Number | MFCD18909667 |
| Molecular Formula | C7H5BrF2O |
| Molecular Weight | 223.0148 |
| SMILES | BrC1=C(C=C(C(=C1)F)F)CO |
| Synonyms | (2-Bromo-4,5-difluorophenyl)methanol,
476620-55-0,
2-Bromo-4,5-difluorobenzyl alcohol,
SCHEMBL707949,
DTXSID20727000,
PXNMZIPQCOVDEU-UHFFFAOYSA-N,
MFCD18909667,
ZINC71790081,
AKOS027254573,
(2-bromo-4,5-difluoro-phenyl)-methanol,
Benzenemethanol, 2-bromo-4,5-difluoro-,
AS-46319,
DA-17724,
FT-0714754,
AS-813/43501762,
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| Complexity | 134 |
| 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
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Certificate of Analysis
Lot Number