| CAS Number | 333345-89-4 |
| Catalog Number | AG01B1HM |
| Chemical Name | 3-bromo-N-pentylbenzamide |
| IUPAC Name | 3-bromo-N-pentylbenzamide |
| InChI | InChI=1S/C12H16BrNO/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3,(H,14,15) |
| InChI Key | FPVZVKLBFHUYOM-UHFFFAOYSA-N |
| MDL Number | MFCD01215156 |
| Molecular Formula | C12H16BrNO |
| Molecular Weight | 270.1655 |
| SMILES | CCCCCNC(C1=CC(Br)=CC=C1)=O |
| Synonyms | 3-bromo-N-pentylbenzamide,
333345-89-4,
Benzamide, 3-bromo-N-pentyl-,
AC1N842W,
FPVZVKLBFHUYOM-UHFFFAOYSA-N,
ZINC5418631,
AKOS000187932,
MCULE-7977033494,
NE22264,
Z27719144,
3-bromo-N-pentyl-benzamide,
CID4337904,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.17g/mol |
| Monoisotopic Mass | 269.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number