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6-chloro-3-(2-methylbenzoyl)-1H-indole

6-chloro-3-(2-methylbenzoyl)-1H-indole

Formula: C16H12ClNO

SMILES: CC1=C(C=CC=C1)C(=O)C1=CNC2=CC(Cl)=CC=C12

IUPAC: 6-chloro-3-(2-methylbenzoyl)-1H-indole

InChI: InChI=1S/C16H12ClNO/c1-10-4-2-3-5-12(10)16(19)14-9-18-15-8-11(17)6-7-13(14)15/h2-9,18H,1H3

Composition: C (71.25%), H (4.48%), Cl (13.14%), N (5.19%), O (5.93%)

Molar Mass: 269.73

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 269.0607417
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey OPKYLLYKAOPSMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.57
Topological Polar Surface Area 32.86
Polarizability 30.84
Ring Count 3
Rotatable Bond Count 2

Suppliers

Purity (%)
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Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C16H12ClNO $1,241.00-$1,781.00$1,241.00$1,781.00
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