| CAS Number | 1052148-20-5 |
| Catalog Number | AG00IWWD(AGN-PC-0WB05L) |
| Chemical Name | 6-Bromo-N-[(4-cyanophenyl)methyl]hexanamide |
| IUPAC Name | 6-bromo-N-[(4-cyanophenyl)methyl]hexanamide |
| InChI | InChI=1S/C14H17BrN2O/c15-9-3-1-2-4-14(18)17-11-13-7-5-12(10-16)6-8-13/h5-8H,1-4,9,11H2,(H,17,18) |
| InChI Key | PQFYIDGUCQZAQK-UHFFFAOYSA-N |
| MDL Number | MFCD22689150 |
| Molecular Formula | C14H17BrN2O |
| Molecular Weight | 309.2016 |
| SMILES | C1=CC(=CC=C1CNC(=O)CCCCCBr)C#N |
| Synonyms | 6-bromo-N-[(4-cyanophenyl)methyl]hexanamide,
1052148-20-5,
6-Bromo-N-(4-cyanobenzyl)hexanamide,
KS-000026NJ,
ZX-RL000651,
MFCD22689150,
ZINC91294504,
AKOS016028510,
HG-0220,
OR303131,
1216581-83-7,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.207g/mol |
| Monoisotopic Mass | 308.052g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number