| CAS Number | 1805115-44-9 |
| Catalog Number | AG00I03D |
| Chemical Name | 2-Chloro-4-fluoro-3-nitrotoluene |
| IUPAC Name | 3-chloro-1-fluoro-4-methyl-2-nitrobenzene |
| InChI | InChI=1S/C7H5ClFNO2/c1-4-2-3-5(9)7(6(4)8)10(11)12/h2-3H,1H3 |
| InChI Key | BUZBFRBRPCXJTG-UHFFFAOYSA-N |
| MDL Number | MFCD26940372 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | [O-][N+](=O)c1c(F)ccc(c1Cl)C |
| Synonyms | 2-Chloro-4-fluoro-3-nitrotoluene,
1805115-44-9,
ZINC97743306,
Y2296,
C7H5ClFNO2,
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| 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 |
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Certificate of Analysis
Lot Number