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

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

CAS: 16792-45-3

Formula: C11H10N2O4

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

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

InChI: InChI=1S/C11H10N2O4/c1-2-17-11(14)10-5-7-3-4-8(13(15)16)6-9(7)12-10/h3-6,12H,2H2,1H3

Composition: C (56.41%), H (4.30%), N (11.96%), O (27.32%)

Molar Mass: 234.211

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.06405681
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SOMZLSPJSSDTAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.12
Topological Polar Surface Area	85.23
Polarizability	23.69
Ring Count	2
Rotatable Bond Count	4

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