RefChem:331248
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate;pyridin-3-ylmethylazanium
Also Known As: RefChem:331248|Sgd 171-75|AC1L1AW1|(+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid 3-pyridinylmethylamine|Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, (+-), compd. with 3-pyridinemethanamine (1:1)|2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate;pyridin-3-ylmethylazanium|2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate; pyridin-3-ylmethylazanium|BUTYRIC ACID, 2-(4-(4-CHLOROBENZYL)PHENOXY)-2-METHYL-, (+-), compd. with 3-PYRID
| Molecular Formula | C24H27ClN2O3 |
|---|---|
| Molecular Weight | 426.17102 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 89.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.17102 |
| Heavy Atoms | 30 |
| Complexity | 915.4 |
Chemical Identifiers
| CAS Number | 71548-90-8 |
|---|---|
| SMILES | CCC(C)(C(=O)[O-])OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.C1=CC(=CN=C1)C[NH3+] |
Product Overview
RefChem:331248 (CAS 71548-90-8), with molecular formula C24H27ClN2O3 and molecular weight 426.17102 g/mol. IUPAC: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate;pyridin-3-ylmethylazanium.
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