| CAS Number | 1184623-42-4 |
| Catalog Number | AG003OLK(AGN-PC-0WACOL) |
| Chemical Name | Butyl 5-bromo-2-chlorobenzamide |
| IUPAC Name | 5-bromo-N-butyl-2-chlorobenzamide |
| InChI | InChI=1S/C11H13BrClNO/c1-2-3-6-14-11(15)9-7-8(12)4-5-10(9)13/h4-5,7H,2-3,6H2,1H3,(H,14,15) |
| InChI Key | ZZAQYLFNWXPSAG-UHFFFAOYSA-N |
| MDL Number | MFCD12546502 |
| Molecular Formula | C11H13BrClNO |
| Molecular Weight | 290.5840 |
| SMILES | CCCCNC(=O)c1cc(Br)ccc1Cl |
| Synonyms | 5-Bromo-N-butyl-2-chlorobenzamide,
1184623-42-4,
BUTYL 5-BROMO-2-CHLOROBENZAMIDE,
ACMC-2099xa,
CTK4B0684,
DTXSID20675173,
ANW-17132,
MFCD12546502,
ZINC37975161,
AKOS008921285,
AJ-94427,
BBV-32252018,
AX8242787,
TR-034200,
Z7915,
A-5247,
I01-10949,
C11H13BrClNO,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.585g/mol |
| Monoisotopic Mass | 288.987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number