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5-chloro-7-methyl-1H-indole-2-carboxylic acid

5-chloro-7-methyl-1H-indole-2-carboxylic acid

CAS: 15936-74-0

Formula: C10H8ClNO2

SMILES: CC1=C2NC(=CC2=CC(Cl)=C1)C(O)=O

IUPAC: 5-chloro-7-methyl-1H-indole-2-carboxylic acid

InChI: InChI=1S/C10H8ClNO2/c1-5-2-7(11)3-6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14)

Composition: C (57.30%), H (3.85%), Cl (16.91%), N (6.68%), O (15.26%)

Molar Mass: 209.63

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 209.0243562
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey KCHVBNGYTXIUNL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.12
Topological Polar Surface Area 53.09
Polarizability 21.5
Ring Count 2
Rotatable Bond Count 1

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