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methyl 6-tert-butyl-1H-indole-2-carboxylate

methyl 6-tert-butyl-1H-indole-2-carboxylate

CAS: 887360-36-3

Formula: C14H17NO2

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

IUPAC: methyl 6-tert-butyl-1H-indole-2-carboxylate

InChI: InChI=1S/C14H17NO2/c1-14(2,3)10-6-5-9-7-12(13(16)17-4)15-11(9)8-10/h5-8,15H,1-4H3

Composition: C (72.70%), H (7.41%), N (6.06%), O (13.83%)

Molar Mass: 231.295

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.125928791
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HEKOFOQCFMMTSH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.71
Topological Polar Surface Area 42.09
Polarizability 27.27
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 887360-36-3 $202.14$202.14
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