| CAS Number | 69741-64-6 |
| Catalog Number | AG00IBZ9(AGN-PC-0WOIZO) |
| Chemical Name | 2-Chloro-6-nitro-4-(trifluoromethyl)phenol |
| IUPAC Name | 2-chloro-6-nitro-4-(trifluoromethyl)phenol |
| InChI | InChI=1S/C7H3ClF3NO3/c8-4-1-3(7(9,10)11)2-5(6(4)13)12(14)15/h1-2,13H |
| InChI Key | GAZOASPEAVAGAU-UHFFFAOYSA-N |
| MDL Number | MFCD00116800 |
| Molecular Formula | C7H3ClF3NO3 |
| Molecular Weight | 241.5518 |
| SMILES | OC1=C([N+]([O-])=O)C=C(C(F)(F)F)C=C1Cl |
| Synonyms | 2-chloro-6-nitro-4-(trifluoromethyl)phenol,
69741-64-6,
SCHEMBL1024025,
GAZOASPEAVAGAU-UHFFFAOYSA-N,
MFCD00116800,
ZINC90129997,
2-chloro-6-nitro-4-trifluoromethylphenol,
2-chloro-4-(trifluoromethyl)-6-nitrophenol,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.55g/mol |
| Monoisotopic Mass | 240.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number