| CAS Number | 1033201-68-1 |
| Catalog Number | AG003UHS(AGN-PC-0WAF30) |
| Chemical Name | T-Butyl 3-bromo-4-fluorobenzamide |
| IUPAC Name | 3-bromo-N-tert-butyl-4-fluorobenzamide |
| InChI | InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15) |
| InChI Key | DCQTUUIYIQBVMU-UHFFFAOYSA-N |
| MDL Number | MFCD10699644 |
| Molecular Formula | C11H13BrFNO |
| Molecular Weight | 274.1294 |
| SMILES | O=C(c1ccc(c(c1)Br)F)NC(C)(C)C |
| Synonyms | 1033201-68-1,
3-Bromo-N-(tert-butyl)-4-fluorobenzamide,
T-BUTYL 3-BROMO-4-FLUOROBENZAMIDE,
ACMC-20985t,
SCHEMBL13701800,
CTK4A1952,
DTXSID90674512,
ANW-14847,
MFCD10699644,
ZINC38537053,
AKOS015834313,
RTR-000757,
3-bromo-N-tert-butyl-4-fluorobenzamide,
AJ-95838,
TR-000757,
TERT-BUTYL 3-BROMO-4-FLUOROBENZAMIDE,
Z6615,
A-4243,
I01-10814,
C11H13BrFNO,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.133g/mol |
| Monoisotopic Mass | 273.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number