| CAS Number | 73391-96-5 |
| Catalog Number | AG00FDG9(AGN-PC-0JPI0Y) |
| Chemical Name | N-Benzyl-2-bromo-N-methylacetamide |
| IUPAC Name | N-benzyl-2-bromo-N-methylacetamide |
| InChI | InChI=1S/C10H12BrNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChI Key | XIBVVIAYYYFAAI-UHFFFAOYSA-N |
| MDL Number | MFCD02751705 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | CN(C(CBr)=O)CC1=CC=CC=C1 |
| Synonyms | N-Benzyl-2-bromo-N-methylacetamide,
73391-96-5,
CCRIS 1816,
alpha-Bromo-N-benzyl-N-methylacetamide,
AC1L44TI,
N-Methyl-N-benzylbromoacetamide,
SCHEMBL3301637,
XIBVVIAYYYFAAI-UHFFFAOYSA-N,
ALBB-030948,
ZINC5965757,
MFCD02751705,
AKOS005288972,
NE30071,
LS-188760,
Acetamide, 2-bromo-N-methyl-N-(phenylmethyl)-,
CID150681,
|
| Complexity | 166 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.116g/mol |
| Monoisotopic Mass | 241.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number