| CAS Number | 1804054-69-0 |
| Catalog Number | AG00I02K |
| Chemical Name | 2-Fluoro-4-methyl-5-nitrobenzaldehyde |
| IUPAC Name | 2-fluoro-4-methyl-5-nitrobenzaldehyde |
| InChI | InChI=1S/C8H6FNO3/c1-5-2-7(9)6(4-11)3-8(5)10(12)13/h2-4H,1H3 |
| InChI Key | FRDWVXUIJCCEQG-UHFFFAOYSA-N |
| MDL Number | MFCD28024852 |
| Molecular Formula | C8H6FNO3 |
| Molecular Weight | 183.1365 |
| SMILES | FC1=C(C=O)C=C(C(=C1)C)[N+](=O)[O-] |
| Synonyms | 2-Fluoro-4-methyl-5-nitrobenzaldehyde,
1804054-69-0,
SCHEMBL18216945,
ZINC169725190,
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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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