| CAS Number | 1803718-60-6 |
| Catalog Number | AG01FPTN(AGN-PC-0WCQ1V) |
| Chemical Name | 2,3-Dichloro-1-fluoro-4-(trifluoromethyl)benzene |
| IUPAC Name | 2,3-dichloro-1-fluoro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2Cl2F4/c8-5-3(7(11,12)13)1-2-4(10)6(5)9/h1-2H |
| InChI Key | REMVJYPCWOHMTP-UHFFFAOYSA-N |
| MDL Number | MFCD28786012 |
| Molecular Formula | C7H2Cl2F4 |
| Molecular Weight | 232.9904 |
| SMILES | ClC1=C(C=CC(=C1Cl)C(F)(F)F)F |
| Synonyms | 2,3-Dichloro-4-fluorobenzotrifluoride,
1803718-60-6,
SCHEMBL9392558,
ZINC149755959,
AS-67662,
2,3-Dichloro-1-fluoro-4-(trifluoromethyl)benzene,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.946968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.99g/mol |
| Monoisotopic Mass | 231.946968g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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