1-(difluoromethoxy)-3-nitrobenzene

1-(difluoromethoxy)-3-nitrobenzene

CAS: 22236-07-3

Formula: C7H5F2NO3

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

IUPAC: 1-(difluoromethoxy)-3-nitrobenzene

InChI: InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-2-5(4-6)10(11)12/h1-4,7H

Composition: C (44.46%), H (2.67%), F (20.09%), N (7.41%), O (25.38%)

Molar Mass: 189.118

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.023749351
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NYVCZALWNPMMSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.85
Topological Polar Surface Area	52.37
Polarizability	14.49
Ring Count	1
Rotatable Bond Count	3

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