| CAS Number | 1039867-83-8 |
| Catalog Number | AG01ABKZ |
| Chemical Name | 1-(3-Bromo-4-methoxyphenyl)-2,2,2-trifluoroethanamine |
| IUPAC Name | 1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanamine |
| InChI | InChI=1S/C9H9BrF3NO/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4,8H,14H2,1H3 |
| InChI Key | DZWDZYOJEYNLEP-UHFFFAOYSA-N |
| MDL Number | MFCD07384639 |
| Molecular Formula | C9H9BrF3NO |
| Molecular Weight | 284.0731 |
| SMILES | COC1=C(C=C(C=C1)C(C(F)(F)F)N)Br |
| Synonyms | 1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethan-1-amine,
1039867-83-8,
1-(3-Bromo-4-methoxyphenyl)-2,2,2-trifluoroethanamine,
AKOS009287788,
NE43843,
1-(3-Bromo-4-methoxy-phenyl)-2,2,2-trifluoro-ethylamine,
(1R)-1-(3-BROMO-4-METHOXYPHENYL)-2,2,2-TRIFLUOROETHYLAMINE,
(1S)-1-(3-BROMO-4-METHOXYPHENYL)-2,2,2-TRIFLUOROETHYLAMINE,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.076g/mol |
| Monoisotopic Mass | 282.982g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number