methyl 6-nitro-1H-indole-2-carboxylate

methyl 6-nitro-1H-indole-2-carboxylate

CAS: 136818-66-1

Formula: C10H8N2O4

SMILES: COC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O

IUPAC: methyl 6-nitro-1H-indole-2-carboxylate

InChI: InChI=1S/C10H8N2O4/c1-16-10(13)9-4-6-2-3-7(12(14)15)5-8(6)11-9/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	XYESWWUBKWDGNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.37
Topological Polar Surface Area	85.23
Polarizability	21.85
Ring Count	2
Rotatable Bond Count	3

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