| CAS Number | 90561-76-5 |
| Catalog Number | AG00H4KL(AGN-PC-00Q1DG) |
| Chemical Name | AcetaMide, N-[(4-broMophenyl)Methyl]- |
| IUPAC Name | N-[(4-bromophenyl)methyl]acetamide |
| InChI | InChI=1S/C9H10BrNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12) |
| InChI Key | HBBBWKUVJSIFKV-UHFFFAOYSA-N |
| MDL Number | MFCD14659390 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | CC(=O)NCc1ccc(cc1)Br |
| Synonyms | N-[(4-bromophenyl)methyl]acetamide,
90561-76-5,
n-(4-bromobenzyl)acetamide,
N-acetyl-4-bromobenzylamine,
SCHEMBL540769,
KS-00001UA8,
MFCD14659390,
ZINC34616082,
AKOS008842263,
MCULE-5123042587,
NE30687,
DA-40688,
FT-0755882,
1Z-0016,
Z1146147705,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number