| CAS Number | 337536-22-8 |
| Catalog Number | AG00C0YU(AGN-PC-03JN4Z) |
| Chemical Name | N-Methyl 3-bromo-4-fluorobenzamide |
| IUPAC Name | 3-bromo-4-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H7BrFNO/c1-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12) |
| InChI Key | XYFHGDQQIOYGME-UHFFFAOYSA-N |
| MDL Number | MFCD11053794 |
| Molecular Formula | C8H7BrFNO |
| Molecular Weight | 232.0497 |
| SMILES | BrC=1C=C(C(=O)NC)C=CC1F |
| Synonyms | 3-Bromo-4-fluoro-N-methylbenzamide,
337536-22-8,
N-METHYL 3-BROMO-4-FLUOROBENZAMIDE,
ACMC-209i2q,
SCHEMBL3819667,
CTK4H1192,
DTXSID50622019,
N-methyl-3-bromo-4-fluorobenzamide,
ANW-27696,
MFCD11053794,
ZINC38537079,
AKOS015834159,
QC-7997,
RTR-014085,
AJ-95864,
TR-014085,
V5273,
I01-10817,
C8H7BrFNO,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.052g/mol |
| Monoisotopic Mass | 230.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number