6-nitro-2,3-dihydro-1,4-benzodioxine

6-nitro-2,3-dihydro-1,4-benzodioxine

CAS: 16498-20-7

Formula: C8H7NO4

SMILES: [O-][N+](=O)C1=CC=C2OCCOC2=C1

IUPAC: 6-nitro-2,3-dihydro-1,4-benzodioxine

InChI: InChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2

Composition: C (53.04%), H (3.90%), N (7.73%), O (35.33%)

Molar Mass: 181.147

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.037507709
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MQSGCURTKWHBRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.34
Topological Polar Surface Area	61.6
Polarizability	16.6
Ring Count	2
Rotatable Bond Count	1

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