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3-ethyl-5-fluoro-1H-indole-2-carboxylic acid

3-ethyl-5-fluoro-1H-indole-2-carboxylic acid

CAS: 169674-67-3

Formula: C11H10FNO2

SMILES: CCC1=C(NC2=CC=C(F)C=C12)C(O)=O

IUPAC: 3-ethyl-5-fluoro-1H-indole-2-carboxylic acid

InChI: InChI=1S/C11H10FNO2/c1-2-7-8-5-6(12)3-4-9(8)13-10(7)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)

Composition: C (63.76%), H (4.86%), F (9.17%), N (6.76%), O (15.44%)

Molar Mass: 207.204

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 207.069556729
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey MQEQTBNFWHGSRJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.14
Topological Polar Surface Area 53.09
Polarizability 21.13
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 169674-67-3 $427.80$427.80
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