| CAS Number | 1369952-83-9 |
| Catalog Number | AG009WXE(AGN-PC-0WA6AJ) |
| Chemical Name | 2-Bromo-6-isopropoxybenzamide |
| IUPAC Name | 2-bromo-6-propan-2-yloxybenzamide |
| InChI | InChI=1S/C10H12BrNO2/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6H,1-2H3,(H2,12,13) |
| InChI Key | MLWJPMKFCWZKQD-UHFFFAOYSA-N |
| MDL Number | MFCD25953903 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | CC(Oc1cccc(c1C(=O)N)Br)C |
| Synonyms | 2-Bromo-6-isopropoxybenzamide,
1369952-83-9,
ZINC95495551,
AKOS026673006,
V2673,
C10H12BrNO2,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 3 |
| 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