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1-chloro-3-methylisoquinoline

1-chloro-3-methylisoquinoline

CAS: 7115-16-4

Formula: C10H8ClN

SMILES: CC1=CC2=CC=CC=C2C(Cl)=N1

IUPAC: 1-chloro-3-methylisoquinoline

InChI: InChI=1S/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6H,1H3

Composition: C (67.62%), H (4.54%), Cl (19.96%), N (7.89%)

Molar Mass: 177.63

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.034527
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RWAHYDUCMPRQOP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.81
Topological Polar Surface Area 12.89
Polarizability 20.66
Ring Count 2
Rotatable Bond Count 0

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96% <2 Days 7115-16-4 $124.20-$3,447.70$124.20$143.75$171.35$227.70$917.70$3,447.70
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