| CAS Number | 127228-77-7 |
| Catalog Number | AG019GEG |
| Chemical Name | 2,4-difluoro-5-nitrobenzaldehyde |
| IUPAC Name | 2,4-difluoro-5-nitrobenzaldehyde |
| InChI | InChI=1S/C7H3F2NO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-3H |
| InChI Key | MMFFDMRGDWUXDH-UHFFFAOYSA-N |
| MDL Number | MFCD11857779 |
| Molecular Formula | C7H3F2NO3 |
| Molecular Weight | 187.1004 |
| SMILES | O=CC1=CC([N+](=O)[O-])=C(F)C=C1F |
| Synonyms | 2,4-difluoro-5-nitrobenzaldehyde,
127228-77-7,
SCHEMBL4301198,
CTK7H8503,
MMFFDMRGDWUXDH-UHFFFAOYSA-N,
ZINC32627927,
NE15301,
EN300-40940,
AC1Q1WZ5,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.008099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.1g/mol |
| Monoisotopic Mass | 187.008099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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