| CAS Number | 207110-34-7 |
| Catalog Number | AG00BJV7(AGN-PC-0A8EVY) |
| Chemical Name | 2-BROMO-6-FLUORO-4-NITROTOLUENE |
| IUPAC Name | 1-bromo-3-fluoro-2-methyl-5-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3 |
| InChI Key | PTWYQLDIZKUNNC-UHFFFAOYSA-N |
| MDL Number | MFCD04973754 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | CC1=C(C=C(C=C1F)[N+](=O)[O-])Br |
| Synonyms | 207110-34-7,
2-Bromo-6-fluoro-4-nitrotoluene,
1-Bromo-3-fluoro-2-methyl-5-nitrobenzene,
Benzene, 1-bromo-3-fluoro-2-methyl-5-nitro-,
SCHEMBL8388820,
PTWYQLDIZKUNNC-UHFFFAOYSA-N,
ZINC2541326,
ZX-AP009832,
MFCD04973754,
3-bromo-5-fluoro-4-methylnitrobenzene,
AKOS027256110,
FCH1374568,
PC51133,
TZ001254,
1-Bromo-3-fluoro-2-methyl-5- nitrobenzene,
CS-0037230,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.024g/mol |
| Monoisotopic Mass | 232.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number