| CAS Number | 1805527-07-4 |
| Catalog Number | AG00I042(AGN-PC-0WR0N1) |
| Chemical Name | 2-CHLORO-5-FLUORO-6-NITRO-TOLUENE |
| IUPAC Name | 1-chloro-4-fluoro-2-methyl-3-nitrobenzene |
| InChI | InChI=1S/C7H5ClFNO2/c1-4-5(8)2-3-6(9)7(4)10(11)12/h2-3H,1H3 |
| InChI Key | BLUUVKHJBZOXFB-UHFFFAOYSA-N |
| MDL Number | MFCD27922132 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | CC1=C(C(F)=CC=C1Cl)[N+]([O-])=O |
| Synonyms | 1805527-07-4,
2-CHLORO-5-FLUORO-6-NITRO-TOLUENE,
1-Chloro-4-fluoro-2-methyl-3-nitrobenzene,
1-Chloro-4-fluoro-2-methyl-3-nitro-benzene,
6-Chloro-3-fluoro-2-nitrotoluene,
MFCD27922132,
ZINC96028570,
AS-30491,
2-Chloro-5-fluoro-6-nitrotoluene,
ACN-056253,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.57g/mol |
| Monoisotopic Mass | 188.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number