| CAS Number | 1072944-34-3 |
| Catalog Number | AG007T3B(AGN-PC-0WAEMS) |
| Chemical Name | 4-Bromo-3-methoxy-N-methylbenzamide |
| IUPAC Name | 4-bromo-3-methoxy-N-methylbenzamide |
| InChI | InChI=1S/C9H10BrNO2/c1-11-9(12)6-3-4-7(10)8(5-6)13-2/h3-5H,1-2H3,(H,11,12) |
| InChI Key | UHZULJYJIHUYNB-UHFFFAOYSA-N |
| MDL Number | MFCD11504869 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | O=C(NC)C1=CC=C(Br)C(OC)=C1 |
| Synonyms | 1072944-34-3,
4-Bromo-3-methoxy-N-methylbenzamide,
N-Methyl 4-bromo-3-methoxybenzamide,
ACMC-2098ol,
SCHEMBL13731075,
CTK4A5135,
DTXSID40674709,
ANW-15523,
MFCD11504869,
N-methyl-4-bromo-3-methoxybenzamide,
ZINC38537163,
AKOS015835251,
RTR-001435,
AJ-95930,
TR-001435,
Z6944,
A-4442,
I01-10744,
C9H10BrNO2,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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