6-chloro-5-methoxy-3-methyl-1H-indole-2-carboxylic acid

6-chloro-5-methoxy-3-methyl-1H-indole-2-carboxylic acid

CAS: 1368490-62-3

Formula: C11H10ClNO3

SMILES: COC1=C(Cl)C=C2NC(C(O)=O)=C(C)C2=C1

IUPAC: 6-chloro-5-methoxy-3-methyl-1H-indole-2-carboxylic acid

InChI: InChI=1S/C11H10ClNO3/c1-5-6-3-9(16-2)7(12)4-8(6)13-10(5)11(14)15/h3-4,13H,1-2H3,(H,14,15)

Composition: C (55.13%), H (4.21%), Cl (14.79%), N (5.84%), O (20.03%)

Molar Mass: 239.66

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	239.0349209
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WZJUHTYESGBOJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.59
Topological Polar Surface Area	62.32
Polarizability	24.06
Ring Count	2
Rotatable Bond Count	2

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