| CAS Number | 1803736-34-6 |
| Catalog Number | AG00I01X(AGN-PC-0WR7LF) |
| Chemical Name | 2-fluoro-3-methyl-5-nitrobenzaldehyde |
| IUPAC Name | 2-fluoro-3-methyl-5-nitrobenzaldehyde |
| InChI | InChI=1S/C8H6FNO3/c1-5-2-7(10(12)13)3-6(4-11)8(5)9/h2-4H,1H3 |
| InChI Key | LNNWMBXTZOPMDG-UHFFFAOYSA-N |
| MDL Number | MFCD28797464 |
| Molecular Formula | C8H6FNO3 |
| Molecular Weight | 183.1365 |
| SMILES | O=CC1=CC([N+]([O-])=O)=CC(C)=C1F |
| Synonyms | 2-FLUORO-3-METHYL-5-NITROBENZALDEHYDE,
1803736-34-6,
ZINC261493894,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.138g/mol |
| Monoisotopic Mass | 183.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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