| CAS Number | 1805109-31-2 |
| Catalog Number | AG01FH89(AGN-PC-3H4AMI) |
| Chemical Name | 2-Bromo-5-fluoro-3-nitrobenzyl alcohol |
| IUPAC Name | (2-bromo-5-fluoro-3-nitrophenyl)methanol |
| InChI | InChI=1S/C7H5BrFNO3/c8-7-4(3-11)1-5(9)2-6(7)10(12)13/h1-2,11H,3H2 |
| InChI Key | RIXUPXLYMCWLTF-UHFFFAOYSA-N |
| MDL Number | MFCD28740116 |
| Molecular Formula | C7H5BrFNO3 |
| Molecular Weight | 250.0219 |
| SMILES | OCc1cc(F)cc(c1Br)[N+](=O)[O-] |
| Synonyms | 2-Bromo-5-fluoro-3-nitrobenzyl alcohol,
1805109-31-2,
(2-Bromo-5-fluoro-3-nitrophenyl)methanol,
MFCD28740116,
ZINC259431649,
FCH4076487,
PC52102,
PS-10547,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.023g/mol |
| Monoisotopic Mass | 248.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number