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[2-nitro-5-(trifluoromethoxy)phenyl]methanol

[2-nitro-5-(trifluoromethoxy)phenyl]methanol

CAS: 1290618-00-6

Formula: C8H6F3NO4

SMILES: OCC1=CC(OC(F)(F)F)=CC=C1[N+]([O-])=O

IUPAC: [2-nitro-5-(trifluoromethoxy)phenyl]methanol

InChI: InChI=1S/C8H6F3NO4/c9-8(10,11)16-6-1-2-7(12(14)15)5(3-6)4-13/h1-3,13H,4H2

Composition: C (40.52%), H (2.55%), F (24.04%), N (5.91%), O (26.99%)

Molar Mass: 237.134

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.024892166
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZVLFSLMOVBCJON-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.26
Topological Polar Surface Area 72.6
Polarizability 16.96
Ring Count 1
Rotatable Bond Count 4

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