C1=CC2=C(C=C1F)C=C(N2)C(=O)O
CAS: 399-76-8
Nom: 5-fluoro-1H-indole-2-carboxylic acid
SMILES: C1=CC2=C(C=C1F)C=C(N2)C(=O)O

Molecular Processing

Molecular formula
C9H6FNO2
Molecular weight
179.15
Exact mass
179.0383
XLogP
2.01
TPSA
53.09
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.22

Supplementary Information

InChIKey: WTXBRZCVLDTWLP-UHFFFAOYSA-N
Synonymes
5-Fluoroindole-2-carboxylic acid399-76-85-Fluoro-1H-indole-2-carboxylic acidLFV2Z936CQDTXSID10192945RefChem:102652DTXCID50115436206-919-52-Carboxy-5-fluoroindoleMFCD000056121H-Indole-2-carboxylic acid, 5-fluoro-CHEMBL23507MLS000080089SMR000037735FICSpectrum_001495EINECS 206-919-5SpecPlus_000678Opera_ID_1340Spectrum2_001469Spectrum3_001043Spectrum4_001182Spectrum5_001733cid_1820Lopac-265128Lopac0_000071Oprea1_012690BSPBio_002566KBioGR_001843KBioSS_001975
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→