| CAS Number | 1261895-31-1 |
| Catalog Number | AG000S3Z(AGN-PC-0WAELQ) |
| Chemical Name | N-Isopropyl 4-bromo-2-ethoxybenzamide |
| IUPAC Name | 4-bromo-2-ethoxy-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C12H16BrNO2/c1-4-16-11-7-9(13)5-6-10(11)12(15)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15) |
| InChI Key | AYTHWRLTUXEHPL-UHFFFAOYSA-N |
| MDL Number | MFCD18311848 |
| Molecular Formula | C12H16BrNO2 |
| Molecular Weight | 286.1649 |
| SMILES | CCOc1cc(Br)ccc1C(=O)NC(C)C |
| Synonyms | 1261895-31-1,
4-Bromo-2-ethoxy-N-isopropylbenzamide,
N-ISOPROPYL 4-BROMO-2-ETHOXYBENZAMIDE,
4-Bromo-2-ethoxy-N-(propan-2-yl)benzamide,
ACMC-209b34,
CTK4B5009,
DTXSID20681835,
ANW-18638,
MFCD18311848,
N-Isopropyl4-bromo-2-ethoxybenzamide,
ZINC65337026,
AKOS015835569,
AJ-114966,
AX8242887,
TR-035547,
Z9097,
B-2409,
Benzamide, 4-bromo-2-ethoxy-N-(1-methylethyl)-,
I01-10909,
C12H16BrNO2,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.169g/mol |
| Monoisotopic Mass | 285.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number