| CAS Number | 952901-54-1 |
| Catalog Number | AG0065OC(AGN-PC-0W4VVU) |
| Chemical Name | 2-Bromo-4-iodo-6-(trifluoromethyl)aniline |
| IUPAC Name | 2-bromo-4-iodo-6-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4BrF3IN/c8-5-2-3(12)1-4(6(5)13)7(9,10)11/h1-2H,13H2 |
| InChI Key | FPMZGDUOEPNFQS-UHFFFAOYSA-N |
| MDL Number | MFCD13187650 |
| Molecular Formula | C7H4BrF3IN |
| Molecular Weight | 365.9170 |
| SMILES | Ic1cc(Br)c(c(c1)C(F)(F)F)N |
| Synonyms | 2-Bromo-4-iodo-6-(trifluoromethyl)aniline,
952901-54-1,
ACMC-209ryc,
CTK8B2753,
DTXSID60589866,
ANW-40498,
MFCD13187650,
ZINC20134653,
AKOS000111222,
CJ-16547,
TC-129243,
BB 0245948,
V9602,
2-Bromo-4-iodo-6-trifluoromethyl-phenylamin e,
B-8800,
Benzenamine,2-bromo-4-iodo-6-(trifluoromethyl)-,
C7H4BrF3IN,
2-Amino-5-iodo-3-bromobenzotrifluoride,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.852g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.92g/mol |
| Monoisotopic Mass | 364.852g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^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