| CAS Number | 1803824-20-5 |
| Catalog Number | AG00I02B(AGN-PC-0WCQLE) |
| Chemical Name | 2,5-Difluoro-3-nitrobenzaldehyde |
| IUPAC Name | 2,5-difluoro-3-nitrobenzaldehyde |
| InChI | InChI=1S/C7H3F2NO3/c8-5-1-4(3-11)7(9)6(2-5)10(12)13/h1-3H |
| InChI Key | WGHZJFNNDXXIGU-UHFFFAOYSA-N |
| MDL Number | MFCD27923483 |
| Molecular Formula | C7H3F2NO3 |
| Molecular Weight | 187.1004 |
| SMILES | O=Cc1cc(F)cc(c1F)[N+](=O)[O-] |
| Synonyms | 2,5-Difluoro-3-nitrobenzaldehyde,
1803824-20-5,
ZINC95930279,
AKOS022176766,
AJ-136184,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.102g/mol |
| Monoisotopic Mass | 187.008g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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