| CAS Number | 1072944-35-4 |
| Catalog Number | AG007T3A(AGN-PC-0WAEJF) |
| Chemical Name | N-Cyclopropyl 4-bromo-3-methoxybenzamide |
| IUPAC Name | 4-bromo-N-cyclopropyl-3-methoxybenzamide |
| InChI | InChI=1S/C11H12BrNO2/c1-15-10-6-7(2-5-9(10)12)11(14)13-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14) |
| InChI Key | ACZUAJCGIAVKNK-UHFFFAOYSA-N |
| MDL Number | MFCD11504870 |
| Molecular Formula | C11H12BrNO2 |
| Molecular Weight | 270.1225 |
| SMILES | COc1cc(ccc1Br)C(=O)NC1CC1 |
| Synonyms | 1072944-35-4,
N-Cyclopropyl 4-bromo-3-methoxybenzamide,
4-Bromo-N-cyclopropyl-3-methoxybenzamide,
ACMC-2098om,
CTK4A5136,
DTXSID50674710,
ANW-15524,
MFCD11504870,
ZINC38537164,
AKOS015835263,
RTR-001436,
N-Cyclopropyl4-bromo-3-methoxybenzamide,
AJ-95931,
AX8242856,
TR-001436,
Z6945,
A-4443,
I01-11199,
C11H12BrNO2,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.126g/mol |
| Monoisotopic Mass | 269.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number