| CAS Number | 112062-62-1 |
| Catalog Number | AG00970U(AGN-PC-000BIU) |
| Chemical Name | 2-Bromo-3,4-difluoro-6-nitro-phenylamine |
| IUPAC Name | 2-bromo-3,4-difluoro-6-nitroaniline |
| InChI | InChI=1S/C6H3BrF2N2O2/c7-4-5(9)2(8)1-3(6(4)10)11(12)13/h1H,10H2 |
| InChI Key | JNHVRINUNRDTQJ-UHFFFAOYSA-N |
| MDL Number | MFCD20441752 |
| Molecular Formula | C6H3BrF2N2O2 |
| Molecular Weight | 253.0010 |
| SMILES | NC1=C(C=C(C(F)=C1Br)F)[N+]([O-])=O |
| Synonyms | 2-bromo-3,4-difluoro-6-nitroaniline,
112062-62-1,
SCHEMBL4705030,
JNHVRINUNRDTQJ-UHFFFAOYSA-N,
MFCD20441752,
ZINC34222626,
AKOS030629402,
NE55332,
2 -bromo-3,4-difluoro-6-nitroaniline,
AS-43243,
2-Bromo-3,4-difluoro-6-nitro-phenylamine,
EN300-91598,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.003g/mol |
| Monoisotopic Mass | 251.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number