2-tert-butyl-4-nitro-1H-indole

2-tert-butyl-4-nitro-1H-indole

CAS: 242794-70-3

Formula: C12H14N2O2

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

IUPAC: 2-tert-butyl-4-nitro-1H-indole

InChI: InChI=1S/C12H14N2O2/c1-12(2,3)11-7-8-9(13-11)5-4-6-10(8)14(15)16/h4-7,13H,1-3H3

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 218.256

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.105527699
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JUBMRBBJHHFNCX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.01
Topological Polar Surface Area	58.93
Polarizability	24.69
Ring Count	2
Rotatable Bond Count	2

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