| CAS Number | 1034266-14-2 |
| Catalog Number | AG00966J(AGN-PC-0WAKF5) |
| Chemical Name | 1-(4-Bromo-2-fluorophenyl)ethanamine |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)ethanamine |
| InChI | InChI=1S/C8H9BrFN/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3 |
| InChI Key | BRPFKIPSXUHGSH-UHFFFAOYSA-N |
| MDL Number | MFCD18701996 |
| Molecular Formula | C8H9BrFN |
| Molecular Weight | 218.0662 |
| SMILES | CC(N)C1=CC=C(Br)C=C1F |
| Synonyms | 1-(4-bromo-2-fluorophenyl)ethanamine,
1034266-14-2,
1-(4-bromo-2-fluorophenyl)ethan-1-amine,
SCHEMBL701193,
BRPFKIPSXUHGSH-UHFFFAOYSA-N,
MFCD18701996,
AKOS017549723,
1-(4-bromo-2-fluoro-phenyl)-ethylamine,
1-(2-Fluoro-4-bromo-phenyl)-ethylamine,
AS-49803,
SC-44554,
Benzenemethanamine, 4-bromo-2-fluoro-a-methyl-,
(1R)-1-(4-BROMO-2-FLUOROPHENYL)ETHANAMINE,
Z2065464394,
ACN-054708,
(R)-1-(4-Bromo-2-fluorophenyl)ethanamine,
(S)-1-(4-bromo-2-fluorophenyl)ethan-1-amine,
845930-79-2,
1228559-00-9,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.069g/mol |
| Monoisotopic Mass | 216.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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