| CAS Number | 1177558-45-0 |
| Catalog Number | AG008U30 |
| Chemical Name | 3-Bromo-5-methoxybenzamide |
| IUPAC Name | 3-bromo-5-methoxybenzamide |
| InChI | InChI=1S/C8H8BrNO2/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H2,10,11) |
| InChI Key | BCLZHRBOXZTZIO-UHFFFAOYSA-N |
| MDL Number | MFCD18391871 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | COC1=CC(C(N)=O)=CC(Br)=C1 |
| Synonyms | 3-Bromo-5-methoxybenzamide,
1177558-45-0,
ACMC-2099us,
3-Bromo-5-methoxy-benzamide,
SCHEMBL1362735,
3-bromo-5-(methyloxy)benzamide,
CTK8A9329,
DTXSID40727981,
BCLZHRBOXZTZIO-UHFFFAOYSA-N,
ANW-17042,
MFCD18391871,
ZINC85471829,
CJ-22337,
TC-105787,
FT-0715936,
Z7853,
C8H8BrNO2,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number