| CAS Number | 331-30-6 |
| Catalog Number | AG00CM4C(AGN-PC-00MAK8) |
| Chemical Name | N-(4-bromo-3-methylphenyl)acetamide |
| IUPAC Name | N-(4-fluoro-3-methylphenyl)acetamide |
| InChI | InChI=1S/C9H10FNO/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5H,1-2H3,(H,11,12) |
| InChI Key | OGBZMQPBYUMNRI-UHFFFAOYSA-N |
| MDL Number | MFCD00040822 |
| Molecular Formula | C9H10FNO |
| Molecular Weight | 167.1802 |
| SMILES | CC(NC1=CC(C)=C(F)C=C1)=O |
| Synonyms | N-(4-Fluoro-3-methylphenyl)acetamide,
331-30-6,
SCHEMBL405478,
OGBZMQPBYUMNRI-UHFFFAOYSA-N,
ZINC39641956,
AKOS012539098,
NE55179,
Acetamide, N-(4-fluoro-3-methylphenyl)-,
AJ-100471,
N-(4-bromo-3-methylphenyl)acetamide,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.183g/mol |
| Monoisotopic Mass | 167.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number