5-chloro-1H-indole-3-carboxylic acid

5-chloro-1H-indole-3-carboxylic acid

CAS: 10406-05-0

Formula: C9H6ClNO2

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

IUPAC: 5-chloro-1H-indole-3-carboxylic acid

InChI: InChI=1S/C9H6ClNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)

Composition: C (55.26%), H (3.09%), Cl (18.12%), N (7.16%), O (16.36%)

Molar Mass: 195.6

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	195.0087061
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XUDITEOFEQOSAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.21
Topological Polar Surface Area	53.09
Polarizability	19.74
Ring Count	2
Rotatable Bond Count	1

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