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1,3-dichloro-7-methoxyisoquinoline

1,3-dichloro-7-methoxyisoquinoline

CAS: 24623-40-3

Formula: C10H7Cl2NO

SMILES: COC1=CC=C2C=C(Cl)N=C(Cl)C2=C1

IUPAC: 1,3-dichloro-7-methoxyisoquinoline

InChI: InChI=1S/C10H7Cl2NO/c1-14-7-3-2-6-4-9(11)13-10(12)8(6)5-7/h2-5H,1H3

Composition: C (52.66%), H (3.09%), Cl (31.09%), N (6.14%), O (7.01%)

Molar Mass: 228.07

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 226.9904692
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SGQUBMFDFROOSK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.55
Topological Polar Surface Area 22.12
Polarizability 23.31
Ring Count 2
Rotatable Bond Count 1

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Purity (%)
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 24623-40-3 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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