1-nitropyrene

1-nitropyrene

CAS: 5522-43-0

Formula: C16H9NO2

SMILES: [O-][N+](=O)C1=CC=C2C=CC3=C4C(C=CC1=C24)=CC=C3

IUPAC: 1-nitropyrene

InChI: InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

Composition: C (77.72%), H (3.67%), N (5.67%), O (12.94%)

Molar Mass: 247.253

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	247.063328534
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ALRLPDGCPYIVHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.04
Topological Polar Surface Area	43.14
Polarizability	31.48
Ring Count	4
Rotatable Bond Count	1

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