| CAS Number | 74538-22-0 |
| Catalog Number | AG00J73P(AGN-PC-0WBPBC) |
| Chemical Name | 2-Bromo-N-methylpropanamide |
| IUPAC Name | 2-bromo-N-methylpropanamide |
| InChI | InChI=1S/C4H8BrNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7) |
| InChI Key | ALSQAGFRBPHNIQ-UHFFFAOYSA-N |
| MDL Number | MFCD13248679 |
| Molecular Formula | C4H8BrNO |
| Molecular Weight | 166.0164 |
| SMILES | BrC(C(=O)NC)C |
| Synonyms | 2-BROMO-N-METHYLPROPANAMIDE,
74538-22-0,
SCHEMBL768038,
Propanamide,2-bromo-N-methyl-,
CHEMBL3352951,
propanamide, 2-bromo-N-methyl-,
ALSQAGFRBPHNIQ-UHFFFAOYSA-N,
ALBB-012358,
9099AE,
MFCD13248679,
AKOS005173650,
C4H8BrNO,
T3271,
N/A,
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| Complexity | 74.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.018g/mol |
| Monoisotopic Mass | 164.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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