| CAS Number | 1072944-38-7 |
| Catalog Number | AG0082EE(AGN-PC-07XU2M) |
| Chemical Name | N-Propyl 4-bromo-3-methoxybenzamide |
| IUPAC Name | 4-bromo-3-methoxy-N-propylbenzamide |
| InChI | InChI=1S/C11H14BrNO2/c1-3-6-13-11(14)8-4-5-9(12)10(7-8)15-2/h4-5,7H,3,6H2,1-2H3,(H,13,14) |
| InChI Key | ZVZWWSFZPXHPKW-UHFFFAOYSA-N |
| MDL Number | MFCD11504873 |
| Molecular Formula | C11H14BrNO2 |
| Molecular Weight | 272.1384 |
| SMILES | CCCNC(=O)c1ccc(c(c1)OC)Br |
| Synonyms | N-Propyl 4-bromo-3-methoxybenzamide,
1072944-38-7,
4-Bromo-3-methoxy-N-propylbenzamide,
ACMC-2098op,
CTK4A5139,
DTXSID70674712,
N-Propyl4-bromo-3-methoxybenzamide,
ANW-15527,
MFCD11504873,
ZINC38537166,
AKOS015835288,
RTR-001439,
AJ-95933,
AX8243044,
TR-001439,
Z6948,
A-4446,
J-001760,
I01-10749,
C11H14BrNO2,
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| Complexity | 211 |
| 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 | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number