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methyl 4-fluoro-1H-indole-2-carboxylate

methyl 4-fluoro-1H-indole-2-carboxylate

CAS: 113162-36-0

Formula: C10H8FNO2

SMILES: COC(=O)C1=CC2=C(F)C=CC=C2N1

IUPAC: methyl 4-fluoro-1H-indole-2-carboxylate

InChI: InChI=1S/C10H8FNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3

Composition: C (62.18%), H (4.17%), F (9.83%), N (7.25%), O (16.56%)

Molar Mass: 193.177

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 193.053906665
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey JXXLBPLHQYAPLH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.26
Topological Polar Surface Area 42.09
Polarizability 19.63
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <10 Days 113162-36-0 $164.22-$331.37$164.22$331.37
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95% <2 Days 113162-36-0 $121.92$121.92
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