2-(2,2-difluoroethoxy)-1-methoxy-4-nitrobenzene

2-(2,2-difluoroethoxy)-1-methoxy-4-nitrobenzene

CAS: 1795480-23-7

Formula: C9H9F2NO4

SMILES: COC1=CC=C(C=C1OCC(F)F)[N+]([O-])=O

IUPAC: 2-(2,2-difluoroethoxy)-1-methoxy-4-nitrobenzene

InChI: InChI=1S/C9H9F2NO4/c1-15-7-3-2-6(12(13)14)4-8(7)16-5-9(10)11/h2-4,9H,5H2,1H3

Composition: C (46.36%), H (3.89%), F (16.30%), N (6.01%), O (27.45%)

Molar Mass: 233.171

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.0499641
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MBRMEFBUONQHRO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.87
Topological Polar Surface Area	61.6
Polarizability	18.83
Ring Count	1
Rotatable Bond Count	5

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