5-chloro-3-phenyl-1H-indole-2-carboxylic acid

5-chloro-3-phenyl-1H-indole-2-carboxylic acid

CAS: 21139-31-1

Formula: C15H10ClNO2

SMILES: OC(=O)C1=C(C2=CC(Cl)=CC=C2N1)C1=CC=CC=C1

IUPAC: 5-chloro-3-phenyl-1H-indole-2-carboxylic acid

InChI: InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)

Composition: C (66.31%), H (3.71%), Cl (13.05%), N (5.16%), O (11.78%)

Molar Mass: 271.7

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	271.0400063
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	WQRNPWUZAVBEBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.22
Topological Polar Surface Area	53.09
Polarizability	30.7
Ring Count	3
Rotatable Bond Count	2

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