ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate

ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate

CAS: 21139-32-2

Formula: C17H14ClNO2

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

IUPAC: ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate

InChI: InChI=1S/C17H14ClNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3

Composition: C (68.12%), H (4.71%), Cl (11.83%), N (4.67%), O (10.67%)

Molar Mass: 299.75

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	299.0713064
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	FSLOLRKVZPTMHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.74
Topological Polar Surface Area	42.09
Polarizability	34.66
Ring Count	3
Rotatable Bond Count	4

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Key Organics Ltd

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