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7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol hydrochloride

7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol hydrochloride

CAS: 371980-94-8

Formula: C24H30Cl3NO

SMILES: Cl.CC1=C2CCC(CN3CCC(CC3)C3=C(Cl)C=CC=C3Cl)CC(O)C2=CC=C1

IUPAC: 7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol hydrochloride

InChI: InChI=1/C24H29Cl2NO.ClH/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26;/h2-7,17-18,23,28H,8-15H2,1H3;1H

Composition: C (63.37%), H (6.65%), Cl (23.38%), N (3.08%), O (3.52%)

Molar Mass: 454.86

Atom Count: 59

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 453.1392977
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DCKUVQADDNMWEF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 119.22
Topological Polar Surface Area 23.47
Polarizability 46.2
Ring Count 4
Rotatable Bond Count 3

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 371980-94-8 $389.84-$1,629.70$389.84$1,629.70
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