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5-methoxy-3-(4-nitrobenzoyl)-1H-indole

5-methoxy-3-(4-nitrobenzoyl)-1H-indole

Formula: C16H12N2O4

SMILES: COC1=CC=C2NC=C(C(=O)C3=CC=C(C=C3)[N+]([O-])=O)C2=C1

IUPAC: 5-methoxy-3-(4-nitrobenzoyl)-1H-indole

InChI: InChI=1S/C16H12N2O4/c1-22-12-6-7-15-13(8-12)14(9-17-15)16(19)10-2-4-11(5-3-10)18(20)21/h2-9,17H,1H3

Composition: C (64.86%), H (4.08%), N (9.46%), O (21.60%)

Molar Mass: 296.282

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 296.079706874
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WAGMNEGSUNVRCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.5
Topological Polar Surface Area 85.23
Polarizability 31.56
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
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Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C16H12N2O4 $1,241.00-$1,781.00$1,241.00$1,781.00
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