| CAS Number | 1257664-91-7 |
| Catalog Number | AG000OOI(AGN-PC-0WAELR) |
| Chemical Name | N-Isopropyl 4-bromo-2-methoxybenzamide |
| IUPAC Name | 4-bromo-2-methoxy-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C11H14BrNO2/c1-7(2)13-11(14)9-5-4-8(12)6-10(9)15-3/h4-7H,1-3H3,(H,13,14) |
| InChI Key | MGDMNUHBCPEELO-UHFFFAOYSA-N |
| MDL Number | MFCD18087703 |
| Molecular Formula | C11H14BrNO2 |
| Molecular Weight | 272.1384 |
| SMILES | COc1cc(Br)ccc1C(=O)NC(C)C |
| Synonyms | 1257664-91-7,
4-Bromo-N-isopropyl-2-methoxybenzamide,
N-ISOPROPYL 4-BROMO-2-METHOXYBENZAMIDE,
4-Bromo-2-methoxy-N-(propan-2-yl)benzamide,
ACMC-209b07,
SCHEMBL16987303,
CTK4B4774,
DTXSID40681852,
ANW-18533,
MFCD18087703,
ZINC65337050,
AKOS015835568,
N-Isopropyl4-bromo-2-methoxybenzamide,
AJ-114981,
TR-035498,
Z8981,
B-2389,
Benzamide, 4-bromo-2-methoxy-N-(1-methylethyl)-,
I01-10908,
C11H14BrNO2,
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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 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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