| CAS Number | 112822-78-3 |
| Catalog Number | AG00HCFW(AGN-PC-0009EA) |
| Chemical Name | 1-Bromo-2,4-Difluoro-3-Methyl-5-Nitrobenzene |
| IUPAC Name | 1-bromo-2,4-difluoro-3-methyl-5-nitrobenzene |
| InChI | InChI=1S/C7H4BrF2NO2/c1-3-6(9)4(8)2-5(7(3)10)11(12)13/h2H,1H3 |
| InChI Key | XYHQHSNBEJANMZ-UHFFFAOYSA-N |
| MDL Number | MFCD16620249 |
| Molecular Formula | C7H4BrF2NO2 |
| Molecular Weight | 252.0130 |
| SMILES | CC1=C(C(=CC(=C1F)[N+](=O)[O-])Br)F |
| Synonyms | 1-Bromo-2,4-difluoro-3-methyl-5-nitrobenzene,
112822-78-3,
SCHEMBL9677433,
XYHQHSNBEJANMZ-UHFFFAOYSA-N,
MFCD16620249,
ZINC34214760,
3-bromo-2,6-difluoro-5-nitrotoluene,
AS-44766,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.015g/mol |
| Monoisotopic Mass | 250.939g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number