| CAS Number | 1381944-44-0 |
| Catalog Number | AG001870(AGN-PC-0J2CC3) |
| Chemical Name | 4-Bromo-2,3-difluoro-N-methyl-6-nitroaniline |
| IUPAC Name | 4-bromo-2,3-difluoro-N-methyl-6-nitroaniline |
| InChI | InChI=1S/C7H5BrF2N2O2/c1-11-7-4(12(13)14)2-3(8)5(9)6(7)10/h2,11H,1H3 |
| InChI Key | FXWJIGIKWQZDQR-UHFFFAOYSA-N |
| MDL Number | MFCD22375000 |
| Molecular Formula | C7H5BrF2N2O2 |
| Molecular Weight | 267.0276 |
| SMILES | CNc1c(cc(c(c1F)F)Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-2,3-difluoro-N-methyl-6-nitroaniline,
1381944-44-0,
ACMC-209cg0,
C7H5BrF2N2O2,
CTK8B0714,
DTXSID10743037,
ANW-20398,
MFCD22375000,
ZINC85477291,
CJ-22463,
TC-109143,
V2818,
B-9051,
Benzenamine, 4-bromo-2,3-difluoro-N-methyl-6-nitro-,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.03g/mol |
| Monoisotopic Mass | 265.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number