| CAS Number | 159329-03-0 |
| Catalog Number | AG00ADB7(AGN-PC-09WVQ9) |
| Chemical Name | 4-Bromo-2-fluoro-3-(trifluoromethyl)aniline, 4-Bromo-alpha,alpha,alpha,2-tetrafluoro-m-toluidine |
| IUPAC Name | 4-bromo-2-fluoro-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4BrF4N/c8-3-1-2-4(13)6(9)5(3)7(10,11)12/h1-2H,13H2 |
| InChI Key | AZBUGWKAHLMONU-UHFFFAOYSA-N |
| MDL Number | MFCD20483444 |
| Molecular Formula | C7H4BrF4N |
| Molecular Weight | 258.0110 |
| SMILES | BrC1=C(C(=C(N)C=C1)F)C(F)(F)F |
| Synonyms | 159329-03-0,
4-bromo-2-fluoro-3-(trifluoromethyl)aniline,
3-Amino-6-bromo-2-fluorobenzotrifluoride,
Benzenamine, 4-bromo-2-fluoro-3-(trifluoromethyl)-,
SCHEMBL2233270,
CTK0E6945,
DTXSID50705831,
AZBUGWKAHLMONU-UHFFFAOYSA-N,
ZX-AP002803,
MFCD20483444,
ZINC94986195,
FCH1605518,
PC49598,
3-Amino-6-bromo-2-fluorobenzotrifluorid,
PS-11471,
4-bromo-2-fluoro-3-trifluoromethylaniline,
A1-11090,
4-bromo-3-fluoro-2-(trifluoromethyl)benzenamine,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.014g/mol |
| Monoisotopic Mass | 256.946g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number