| CAS Number | 1034690-74-8 |
| Catalog Number | AG00HA2Y(AGN-PC-0WCBEL) |
| Chemical Name | 4-Bromo-3-(Trifluoromethyl)benzamide |
| IUPAC Name | 4-bromo-3-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C8H5BrF3NO/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H2,13,14) |
| InChI Key | YTSXRPUFRAARJT-UHFFFAOYSA-N |
| MDL Number | MFCD18089254 |
| Molecular Formula | C8H5BrF3NO |
| Molecular Weight | 268.0306 |
| SMILES | BrC1=C(C=C(C(=O)N)C=C1)C(F)(F)F |
| Synonyms | 4-Bromo-3-(trifluoromethyl)benzamide,
1034690-74-8,
SCHEMBL1198272,
KS-00003TRQ,
7783AC,
MFCD18089254,
STL450351,
ZINC67802442,
AKOS017558073,
ACN-054422,
MCULE-4594718947,
NE40341,
TS-03510,
C8H5BrF3NO,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.033g/mol |
| Monoisotopic Mass | 266.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^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