4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)

Base Information

• Chemical Name: 4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)
• CAS No.: 58722-69-3
• Molecular Formula: C28H30ClFN2O9S
• Molecular Weight: 625.0622

Synonyms:4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2);58722-69-3;1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2);C20H22ClFN2OS.2C4H4O4;C20-H22-Cl-F-N2-O-S.2C4-H4-O4;LS-112169

Chemical Property of 4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)

Chemical Property:

• Vapor Pressure: 4.7E-11mmHg at 25°C
• Boiling Point: 505.8°Cat760mmHg
• Flash Point: 259.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 624.1344576
• Heavy Atom Count: 42
• Complexity: 584

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Safty Information:

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Useful:

• Canonical SMILES: C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1N(CCN(C1)C2C3=C(SC4=C(C2)C=C(C=C4)Cl)C=C(C=C3)F)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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