| CAS Number | 1072944-42-3 |
| Catalog Number | AG003T4J(AGN-PC-0WAELT) |
| Chemical Name | N-Isopropyl 4-bromo-3-methoxybenzamide |
| IUPAC Name | 4-bromo-3-methoxy-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C11H14BrNO2/c1-7(2)13-11(14)8-4-5-9(12)10(6-8)15-3/h4-7H,1-3H3,(H,13,14) |
| InChI Key | QANYVTOYDPYJBT-UHFFFAOYSA-N |
| MDL Number | MFCD11504877 |
| Molecular Formula | C11H14BrNO2 |
| Molecular Weight | 272.1384 |
| SMILES | COc1cc(ccc1Br)C(=O)NC(C)C |
| Synonyms | 1072944-42-3,
N-Isopropyl 4-bromo-3-methoxybenzamide,
4-Bromo-N-isopropyl-3-methoxybenzamide,
ACMC-2098os,
CTK4A5142,
DTXSID00674725,
ANW-15530,
MFCD11504877,
ZINC38537177,
AKOS015834868,
N-Isopropyl4-bromo-3-methoxybenzamide,
RTR-001443,
AJ-95942,
AX8251658,
TR-001443,
Z6952,
4-Bromo-3-methoxy-N-(propan-2-yl)benzamide,
I01-10742,
C11H14BrNO2,
A-4450,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.142g/mol |
| Monoisotopic Mass | 271.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number