| CAS Number | 202808-22-8 |
| Catalog Number | AG00BI29(AGN-PC-00P0PO) |
| Chemical Name | 5-Bromo-4-chloro-2-nitro-benzaldehyde |
| IUPAC Name | 5-bromo-4-chloro-2-nitrobenzaldehyde |
| InChI | InChI=1S/C7H3BrClNO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-3H |
| InChI Key | JYXKLHDTWONABR-UHFFFAOYSA-N |
| MDL Number | MFCD26398731 |
| Molecular Formula | C7H3BrClNO3 |
| Molecular Weight | 264.4606 |
| SMILES | O=CC1=CC(Br)=C(Cl)C=C1[N+]([O-])=O |
| Synonyms | 5-Bromo-4-chloro-2-nitrobenzaldehyde,
202808-22-8,
5-Bromo-4-chloro-2-nitro-benzaldehyde,
Benzaldehyde, 5-bromo-4-chloro-2-nitro-,
SCHEMBL5277130,
JYXKLHDTWONABR-UHFFFAOYSA-N,
ZINC34540135,
AKOS027365972,
Z-8803,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.459g/mol |
| Monoisotopic Mass | 262.898g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number