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2-chloro-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinoline hydrochloride

2-chloro-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinoline hydrochloride

CAS: 1965309-59-4

Formula: C13H17Cl2N

SMILES: Cl.ClC1CCN2CCC3=CC=CC=C3C2C1

IUPAC: 2-chloro-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinoline hydrochloride

InChI: InChI=1/C13H16ClN.ClH/c14-11-6-8-15-7-5-10-3-1-2-4-12(10)13(15)9-11;/h1-4,11,13H,5-9H2;1H

Composition: C (60.48%), H (6.64%), Cl (27.46%), N (5.43%)

Molar Mass: 258.19

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 257.073805
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SIUZPQNZRJXTAH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.36
Topological Polar Surface Area 3.24
Polarizability 25.02
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1965309-59-4 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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