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

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

CAS: 885520-84-3

Formula: C9H8ClN

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

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

InChI: InChI=1S/C9H8ClN/c1-6-4-7(10)5-9-8(6)2-3-11-9/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 XHOALJZWZGCQJS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.99
Topological Polar Surface Area 15.79
Polarizability 19.18
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 885520-84-3 $1,147.70-$4,597.70$1,147.70$4,597.70
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