| CAS Number | 112822-77-2 |
| Catalog Number | AG00HCFV(AGN-PC-0009E9) |
| Chemical Name | 2,4-Difluoro-3-methyl-5-nitrobenzenamine |
| IUPAC Name | 2,4-difluoro-3-methyl-5-nitroaniline |
| InChI | InChI=1S/C7H6F2N2O2/c1-3-6(8)4(10)2-5(7(3)9)11(12)13/h2H,10H2,1H3 |
| InChI Key | IYZXBTUPJKIQIL-UHFFFAOYSA-N |
| MDL Number | MFCD16620287 |
| Molecular Formula | C7H6F2N2O2 |
| Molecular Weight | 188.1315 |
| SMILES | Cc1c(c(cc(c1F)N(=O)=O)N)F |
| Synonyms | 2,4-Difluoro-3-methyl-5-nitrobenzenamine,
112822-77-2,
2,4-Difluoro-3-methyl-5-nitroaniline,
SCHEMBL9675562,
IYZXBTUPJKIQIL-UHFFFAOYSA-N,
MFCD16620287,
ZINC34214759,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.134g/mol |
| Monoisotopic Mass | 188.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number