| CAS Number | 21486-48-6 |
| Catalog Number | AG003GSL(AGN-PC-01030B) |
| Chemical Name | 2-Bromo-N-phenylbutanamide |
| IUPAC Name | 2-bromo-N-phenylbutanamide |
| InChI | InChI=1S/C10H12BrNO/c1-2-9(11)10(13)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13) |
| InChI Key | LPYHYCASMUNJLQ-UHFFFAOYSA-N |
| MDL Number | MFCD00297039 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | C(C(CC)Br)(=O)NC1C=CC=CC=1 |
| Synonyms | 2-bromo-N-phenylbutanamide,
21486-48-6,
N-Phenyl-2-bromobutyramide,
Butanamide,2-bromo-N-phenyl-,
CTK4E6915,
DTXSID00586117,
CHEMBRDG-BB 9071743,
ALBB-007269,
7294AD,
MFCD00297039,
STK197924,
AKOS000100077,
AKOS016345545,
MCULE-3326935506,
BB 0217180,
FT-0679317,
W-6784,
I14-25852,
C10H12BrNO,
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| 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 | 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number