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4-(trifluoromethyl)benzene-1,2-diol

4-(trifluoromethyl)benzene-1,2-diol

CAS: 37519-09-8

Formula: C7H5F3O2

SMILES: OC1=C(O)C=C(C=C1)C(F)(F)F

IUPAC: 4-(trifluoromethyl)benzene-1,2-diol

InChI: InChI=1S/C7H5F3O2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,11-12H

Composition: C (47.21%), H (2.83%), F (32.00%), O (17.97%)

Molar Mass: 178.11

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.02416389
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RZFLJQHPAGLLPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.99
Topological Polar Surface Area 40.46
Polarizability 12.93
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 37519-09-8 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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