| CAS Number | 1261895-85-5 |
| Catalog Number | AG000S3U(AGN-PC-0WACOK) |
| Chemical Name | Butyl 4-bromo-2-ethoxybenzamide |
| IUPAC Name | 4-bromo-N-butyl-2-ethoxybenzamide |
| InChI | InChI=1S/C13H18BrNO2/c1-3-5-8-15-13(16)11-7-6-10(14)9-12(11)17-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,15,16) |
| InChI Key | BHCHGZFZZXIKAV-UHFFFAOYSA-N |
| MDL Number | MFCD18311850 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | CCCCNC(=O)c1ccc(cc1OCC)Br |
| Synonyms | 1261895-85-5,
4-Bromo-N-butyl-2-ethoxybenzamide,
BUTYL 4-BROMO-2-ETHOXYBENZAMIDE,
ACMC-209b39,
CTK4B5013,
DTXSID40681837,
ANW-18643,
MFCD18311850,
ZINC65337030,
AKOS015835477,
Benzamide, 4-bromo-N-butyl-2-ethoxy-,
AJ-114968,
AX8242789,
TR-035551,
Z9101,
B-2411,
I01-10917,
C13H18BrNO2,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number