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methyl 6-(benzyloxy)-5-fluoro-1H-indole-2-carboxylate

methyl 6-(benzyloxy)-5-fluoro-1H-indole-2-carboxylate

CAS: 872030-46-1

Formula: C17H14FNO3

SMILES: COC(=O)C1=CC2=CC(F)=C(OCC3=CC=CC=C3)C=C2N1

IUPAC: methyl 6-(benzyloxy)-5-fluoro-1H-indole-2-carboxylate

InChI: InChI=1S/C17H14FNO3/c1-21-17(20)15-8-12-7-13(18)16(9-14(12)19-15)22-10-11-5-3-2-4-6-11/h2-9,19H,10H2,1H3

Composition: C (68.22%), H (4.71%), F (6.35%), N (4.68%), O (16.04%)

Molar Mass: 299.301

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 299.095771478
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WSCPNTNIFNLGRL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.34
Topological Polar Surface Area 51.32
Polarizability 31.72
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 872030-46-1 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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