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1-chloro-4-methoxyisoquinoline

1-chloro-4-methoxyisoquinoline

CAS: 3336-60-5

Formula: C10H8ClNO

SMILES: COC1=CN=C(Cl)C2=CC=CC=C12

IUPAC: 1-chloro-4-methoxyisoquinoline

InChI: InChI=1S/C10H8ClNO/c1-13-9-6-12-10(11)8-5-3-2-4-7(8)9/h2-6H,1H3

Composition: C (62.03%), H (4.16%), Cl (18.31%), N (7.23%), O (8.26%)

Molar Mass: 193.63

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 193.0294416
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MZWRTCSTQRDWGM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.68
Topological Polar Surface Area 22.12
Polarizability 21.39
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 3336-60-5 $69.36-$1,330.36$69.36$124.84$1,330.36
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