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ethyl 7-nitro-2-phenyl-1H-indole-5-carboxylate

ethyl 7-nitro-2-phenyl-1H-indole-5-carboxylate

CAS: 1120334-30-6

Formula: C17H14N2O4

SMILES: CCOC(=O)C1=CC(=C2NC(=CC2=C1)C1=CC=CC=C1)[N+]([O-])=O

IUPAC: ethyl 7-nitro-2-phenyl-1H-indole-5-carboxylate

InChI: InChI=1S/C17H14N2O4/c1-2-23-17(20)13-8-12-9-14(11-6-4-3-5-7-11)18-16(12)15(10-13)19(21)22/h3-10,18H,2H2,1H3

Composition: C (65.80%), H (4.55%), N (9.03%), O (20.62%)

Molar Mass: 310.309

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 310.095356939
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZDSJBFGCCFUSDK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.25
Topological Polar Surface Area 85.23
Polarizability 34.61
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <10 Days 1120334-30-6 Quote Only
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95% <5 Days 1120334-30-6 $220.68-$337.95$220.68$337.95
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