| CAS Number | 107096-52-6 |
| Catalog Number | AG009TC7(AGN-PC-000EIN) |
| Chemical Name | 2-METHYL-6-NITROBENZALDEHYDE |
| IUPAC Name | 2-methyl-6-nitrobenzaldehyde |
| InChI | InChI=1S/C8H7NO3/c1-6-3-2-4-8(9(11)12)7(6)5-10/h2-5H,1H3 |
| InChI Key | LBHWNZFYCKTRFN-UHFFFAOYSA-N |
| MDL Number | MFCD10696870 |
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.1461 |
| SMILES | CC1=C(C=O)C(=CC=C1)[N+](=O)[O-] |
| Synonyms | 2-METHYL-6-NITROBENZALDEHYDE,
107096-52-6,
Benzaldehyde, 2-methyl-6-nitro-,
2-Nitro-6-methylbenzaldehyde,
6-methyl-2-nitrobenzaldehyde,
SCHEMBL700297,
2-methyl-6-nitro-benzaldehyde,
LBHWNZFYCKTRFN-UHFFFAOYSA-N,
ZINC34225532,
AKOS006303391,
AB58397,
SC-65939,
FT-0726780,
J3.505.469C,
F2167-9483,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.148g/mol |
| Monoisotopic Mass | 165.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number