| CAS Number | 586412-86-4 |
| Catalog Number | AG01FS7Z(AGN-PC-0OCRHG) |
| Chemical Name | 2-Fluoro-4-methoxy-5-nitro-benzaldehyde |
| IUPAC Name | 2-fluoro-4-methoxy-5-nitrobenzaldehyde |
| InChI | InChI=1S/C8H6FNO4/c1-14-8-3-6(9)5(4-11)2-7(8)10(12)13/h2-4H,1H3 |
| InChI Key | VBSYSLUOPPFQMO-UHFFFAOYSA-N |
| MDL Number | MFCD27995599 |
| Molecular Formula | C8H6FNO4 |
| Molecular Weight | 199.1359 |
| SMILES | FC1=C(C=O)C=C(C(=C1)OC)[N+](=O)[O-] |
| Synonyms | 2-fluoro-4-methoxy-5-nitro-benzaldehyde,
586412-86-4,
2-Fluoro-4-methoxy-5-nitrobenzaldehyde,
SCHEMBL5210790,
VBSYSLUOPPFQMO-UHFFFAOYSA-N,
ZINC97447141,
FCH3820901,
PC500455,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.028086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.14g/mol |
| Monoisotopic Mass | 199.028086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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