| CAS Number | 1001109-50-7 |
| Catalog Number | AG01DLJE |
| Chemical Name | 2-BROMO-4-TRIFLUOROMETHYLBENZYL AMINE |
| IUPAC Name | [2-bromo-4-(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C8H7BrF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H,4,13H2 |
| InChI Key | DMFTZOQOLDWTPA-UHFFFAOYSA-N |
| MDL Number | MFCD13185400 |
| Molecular Formula | C8H7BrF3N |
| Molecular Weight | 254.0471 |
| SMILES | BrC1=C(C=CC(=C1)C(F)(F)F)CN |
| Synonyms | (2-bromo-4-(trifluoromethyl)phenyl)methanamine,
1001109-50-7,
2-Bromo-4-(trifluoromethyl)benzylamine,
MFCD13185400,
ZINC216040234,
FCH1380620,
AK501897,
DS-19000,
SC-40070,
AX8270943,
FT-0702998,
A1-07070,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.05g/mol |
| Monoisotopic Mass | 252.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number