| CAS Number | 711022-47-8 |
| Catalog Number | AG00IC58 |
| Chemical Name | 3-Fluoro-4-hydroxy-5-nitrobenzaldehyde |
| IUPAC Name | 3-fluoro-4-hydroxy-5-nitrobenzaldehyde |
| InChI | InChI=1S/C7H4FNO4/c8-5-1-4(3-10)2-6(7(5)11)9(12)13/h1-3,11H |
| InChI Key | CZOMOYVUYOVNHX-UHFFFAOYSA-N |
| MDL Number | MFCD11846408 |
| Molecular Formula | C7H4FNO4 |
| Molecular Weight | 185.1094 |
| SMILES | OC1=C([N+]([O-])=O)C=C(C=O)C=C1F |
| Synonyms | 3-fluoro-4-hydroxy-5-nitrobenzaldehyde,
711022-47-8,
MFCD11846408,
SCHEMBL532580,
CZOMOYVUYOVNHX-UHFFFAOYSA-N,
ZINC72284164,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.11g/mol |
| Monoisotopic Mass | 185.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number