| CAS Number | 83647-41-0 |
| Catalog Number | AG00IDB7(AGN-PC-03S0J1) |
| Chemical Name | 3-Bromo-2-methyl-6-nitrobenzaldehyde |
| IUPAC Name | 3-bromo-2-methyl-6-nitrobenzaldehyde |
| InChI | InChI=1S/C8H6BrNO3/c1-5-6(4-11)8(10(12)13)3-2-7(5)9/h2-4H,1H3 |
| InChI Key | LMQABMOFTGCXHW-UHFFFAOYSA-N |
| MDL Number | MFCD20484700 |
| Molecular Formula | C8H6BrNO3 |
| Molecular Weight | 244.0421 |
| SMILES | CC1=C(C=O)C([N+]([O-])=O)=CC=C1Br |
| Synonyms | 3-Bromo-2-methyl-6-nitrobenzaldehyde,
83647-41-0,
Benzaldehyde, 3-bromo-2-methyl-6-nitro-,
SCHEMBL5781709,
ZINC165393713,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.044g/mol |
| Monoisotopic Mass | 242.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number