| CAS Number | 935287-88-0 |
| Catalog Number | AG00IMBS(AGN-PC-0WQUIJ) |
| Chemical Name | 2,4-Difluoro-5-nitrobenzyl Alcohol |
| IUPAC Name | (2,4-difluoro-5-nitrophenyl)methanol |
| InChI | InChI=1S/C7H5F2NO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-2,11H,3H2 |
| InChI Key | VPJNXLNSNZEHSQ-UHFFFAOYSA-N |
| MDL Number | MFCD12047726 |
| Molecular Formula | C7H5F2NO3 |
| Molecular Weight | 189.1163 |
| SMILES | OCC1=CC([N+]([O-])=O)=C(F)C=C1F |
| Synonyms | 2,4-Difluoro-5-nitrobenzyl alcohol,
935287-88-0,
(2,4-difluoro-5-nitrophenyl)methanol,
SCHEMBL4309305,
VPJNXLNSNZEHSQ-UHFFFAOYSA-N,
MFCD12047726,
ZINC37180275,
CS-12720,
SY220400,
MFCD12047726 (97%),
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.118g/mol |
| Monoisotopic Mass | 189.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number