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4-chloro-6-methyl-1H-indole

4-chloro-6-methyl-1H-indole

CAS: 885521-78-8

Formula: C9H8ClN

SMILES: CC1=CC(Cl)=C2C=CNC2=C1

IUPAC: 4-chloro-6-methyl-1H-indole

InChI: InChI=1S/C9H8ClN/c1-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3

Composition: C (65.27%), H (4.87%), Cl (21.40%), N (8.46%)

Molar Mass: 165.62

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 165.034527
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 1
InChIKey BVKCEPCPTRIIFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.99
Topological Polar Surface Area 15.79
Polarizability 19.19
Ring Count 2
Rotatable Bond Count 0

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98% <5 Days 885521-78-8 $51.70-$134.93$51.70$81.97$134.93
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