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6-chloro-3-(3-methoxybenzoyl)-1H-indole

6-chloro-3-(3-methoxybenzoyl)-1H-indole

CAS: 1096986-30-9

Formula: C16H12ClNO2

SMILES: COC1=CC=CC(=C1)C(=O)C1=CNC2=CC(Cl)=CC=C12

IUPAC: 6-chloro-3-(3-methoxybenzoyl)-1H-indole

InChI: InChI=1S/C16H12ClNO2/c1-20-12-4-2-3-10(7-12)16(19)14-9-18-15-8-11(17)5-6-13(14)15/h2-9,18H,1H3

Composition: C (67.26%), H (4.23%), Cl (12.41%), N (4.90%), O (11.20%)

Molar Mass: 285.73

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 285.0556563
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ILAQYVUPHJPFRE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.99
Topological Polar Surface Area 42.09
Polarizability 31.57
Ring Count 3
Rotatable Bond Count 3

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95% <5 Days 1096986-30-9 $804.00-$1,780.00$804.00$1,240.00$1,780.00
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