| CAS Number | 244246-71-7 |
| Catalog Number | AG00I4P9(AGN-PC-0O86JL) |
| Chemical Name | Benzenamine, 3-bromo-2-(trifluoromethyl)- |
| IUPAC Name | 3-bromo-2-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H5BrF3N/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H,12H2 |
| InChI Key | DAXMSIHFYZSWNH-UHFFFAOYSA-N |
| MDL Number | MFCD13194482 |
| Molecular Formula | C7H5BrF3N |
| Molecular Weight | 240.0205 |
| SMILES | NC1=CC=CC(Br)=C1C(F)(F)F |
| Synonyms | 3-Bromo-2-(trifluoromethyl)aniline,
244246-71-7,
2-AMINO-6-BROMOBENZOTRIFLUORIDE,
2-Trifluoromethyl-3-bromoaniline,
MFCD13194482,
ZINC83749456,
AKOS027252688,
AS04584,
FCH1382134,
PC53158,
AS-46308,
Benzenamine, 3-bromo-2-(trifluoromethyl)-,
FT-0740909,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.023g/mol |
| Monoisotopic Mass | 238.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number