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methyl 7-nitro-1H-indole-3-carboxylate

methyl 7-nitro-1H-indole-3-carboxylate

CAS: 1027081-37-3

Formula: C10H8N2O4

SMILES: COC(=O)C1=CNC2=C(C=CC=C12)[N+]([O-])=O

IUPAC: methyl 7-nitro-1H-indole-3-carboxylate

InChI: InChI=1S/C10H8N2O4/c1-16-10(13)7-5-11-9-6(7)3-2-4-8(9)12(14)15/h2-5,11H,1H3

Composition: C (54.55%), H (3.66%), N (12.72%), O (29.06%)

Molar Mass: 220.184

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.048406746
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DPVZLQDJENBUSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.49
Topological Polar Surface Area 85.23
Polarizability 21.86
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1027081-37-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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