| CAS Number | 213382-40-2 |
| Catalog Number | AG00BI2F(AGN-PC-0O7UER) |
| Chemical Name | 4-Bromo-5-fluoro-2-nitro-benzaldehyde |
| IUPAC Name | 4-bromo-5-fluoro-2-nitrobenzaldehyde |
| InChI | InChI=1S/C7H3BrFNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-3H |
| InChI Key | AYSVJBVDPZARKA-UHFFFAOYSA-N |
| MDL Number | MFCD28739866 |
| Molecular Formula | C7H3BrFNO3 |
| Molecular Weight | 248.0060 |
| SMILES | O=CC1=CC(F)=C(Br)C=C1[N+]([O-])=O |
| Synonyms | 4-Bromo-5-fluoro-2-nitrobenzaldehyde,
213382-40-2,
SCHEMBL535172,
AYSVJBVDPZARKA-UHFFFAOYSA-N,
AKOS027377883,
ZINC114045965,
FCH3808533,
PC501669,
4-bromo-5-fluoro-2-nitro-benzaldehyde,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.007g/mol |
| Monoisotopic Mass | 246.928g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number