| CAS Number | 439110-13-1 |
| Catalog Number | AG00DVXR(AGN-PC-005BGM) |
| Chemical Name | 2-(4-Fluoro-3-nitrophenyl)ethanol |
| IUPAC Name | 2-(4-fluoro-3-nitrophenyl)ethanol |
| InChI | InChI=1S/C8H8FNO3/c9-7-2-1-6(3-4-11)5-8(7)10(12)13/h1-2,5,11H,3-4H2 |
| InChI Key | MSAVICSPFQKRGG-UHFFFAOYSA-N |
| MDL Number | MFCD09909411 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | OCCC1=CC([N+]([O-])=O)=C(F)C=C1 |
| Synonyms | 2-(4-Fluoro-3-nitrophenyl)ethanol,
439110-13-1,
2-(4-fluoro-3-nitro-phenyl)ethanol,
SCHEMBL2340873,
MSAVICSPFQKRGG-UHFFFAOYSA-N,
FCH876516,
MFCD09909411,
ZINC34427549,
2-(4-fluoro-3-nitro-phenyl)-ethanol,
AKOS006310237,
2-(4-fluoro-3-nitrophenyl)ethan-1-ol,
AX8270320,
2- ethanol,
CID11252405,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number