| CAS Number | 915923-10-3 |
| Catalog Number | AG006SYU(AGN-PC-0WB500) |
| Chemical Name | N-(3-Bromobenzyl)Propanamide |
| IUPAC Name | N-[(3-bromophenyl)methyl]propanamide |
| InChI | InChI=1S/C10H12BrNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13) |
| InChI Key | LORDZAOXOHCULV-UHFFFAOYSA-N |
| MDL Number | MFCD08569829 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | C(CC)(=O)NCC1C=CC=C(Br)C=1 |
| Synonyms | N-(3-bromobenzyl)propanamide,
915923-10-3,
N-(3-Bromobenzyl)propionamide,
N-[(3-bromophenyl)methyl]propanamide,
CTK5H0074,
KS-00001ANM,
DTXSID10589295,
CHEMBRDG-BB 9070652,
MFCD08569829,
STK481816,
ZINC13322354,
AKOS003399901,
MCULE-6056277368,
AJ-63618,
AM804546,
CS-0038953,
ST50901884,
Y-3950,
CHEMBRDG-BB9070652,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.116g/mol |
| Monoisotopic Mass | 241.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number