| CAS Number | 865111-72-4 |
| Catalog Number | AG004Q4S(AGN-PC-03HYS7) |
| Chemical Name | 4-Bromo-3-fluoro-N-methylbenzamide |
| IUPAC Name | 4-bromo-3-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H7BrFNO/c1-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12) |
| InChI Key | RCKIBAQXMJQCNU-UHFFFAOYSA-N |
| MDL Number | MFCD16084875 |
| Molecular Formula | C8H7BrFNO |
| Molecular Weight | 232.0497 |
| SMILES | CNC(C1=CC(F)=C(C=C1)Br)=O |
| Synonyms | 4-Bromo-3-fluoro-N-methylbenzamide,
865111-72-4,
ACMC-209qa3,
SCHEMBL4425463,
CTK8B2480,
DTXSID70620350,
RCKIBAQXMJQCNU-UHFFFAOYSA-N,
ANW-38329,
ZINC43578615,
AKOS010971514,
Benzamide, 4-bromo-3-fluoro-N-methyl-,
CJ-20390,
TC-127074,
Z899264464,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.052g/mol |
| Monoisotopic Mass | 230.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number