2-(3-Chloro-4-fluorophenyl)indole

C₁₄H₉ClFNCAS 1868-88-8245.68 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₉ClFN
Molar mass: 245.68 g/mol
Exact mass: 245.0408 Da
logP: 4.63Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

1868-88-8

SMILES

C1=CC=C2C(=C1)C=C(N2)C3=CC(=C(C=C3)F)Cl

InChIKey

QNYJRNHACDLRSI-UHFFFAOYSA-N

InChI

InChI=1S/C14H9ClFN/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(3-Chloro-4-fluorophenyl)indole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(3,4-Difluorophenyl)indole68290-36-871 % similar 2-(4-Chlorophenyl)-1H-indole1211-35-457 % similar 2-(2-Naphthyl)indole23746-81-856 % similar 2-Phenylindole948-65-251 % similar 1-Chloro-2-fluorobenzene348-51-644 % similar 6-Chloro-5-fluoro-1H-indole122509-72-241 % similar 5-Chloro-6-fluoroindole169674-57-141 % similar 2,4-Dichlorofluorobenzene1435-48-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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