| CAS Number | 1187386-31-7 |
| Catalog Number | AG003GWF(AGN-PC-0WNR7S) |
| Chemical Name | 2-Chloro-4-(trifluoromethoxy)aniline, HCl |
| IUPAC Name | 2-chloro-4-(trifluoromethoxy)aniline;hydrochloride |
| InChI | InChI=1S/C7H5ClF3NO.ClH/c8-5-3-4(1-2-6(5)12)13-7(9,10)11;/h1-3H,12H2;1H |
| InChI Key | YEFJDCOIOFAQLK-UHFFFAOYSA-N |
| MDL Number | MFCD12546529 |
| Molecular Formula | C7H6Cl2F3NO |
| Molecular Weight | 248.0298 |
| SMILES | Nc1ccc(cc1Cl)OC(F)(F)F.Cl |
| Synonyms | 2-Chloro-4-(trifluoromethoxy)aniline hydrochloride,
1187386-31-7,
2-CHLORO-4-(TRIFLUOROMETHOXY)ANILINE, HCL,
C7H5ClF3NO.HCl,
DTXSID30675205,
MFCD12546529,
AKOS015910024,
2-Chloro-4-(trifluoromethoxy)aniline HCl,
AX8251492,
Z8010,
K-1329,
I14-31337,
2-Chloro-4-(trifluoromethoxy)aniline--hydrogen chloride (1/1),
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.026g/mol |
| Monoisotopic Mass | 246.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number