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[2-bromo-6-(trifluoromethoxy)phenyl]methanol

[2-bromo-6-(trifluoromethoxy)phenyl]methanol

CAS: 1253189-03-5

Formula: C8H6BrF3O2

SMILES: OCC1=C(OC(F)(F)F)C=CC=C1Br

IUPAC: [2-bromo-6-(trifluoromethoxy)phenyl]methanol

InChI: InChI=1S/C8H6BrF3O2/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-3,13H,4H2

Composition: C (35.45%), H (2.23%), Br (29.48%), F (21.03%), O (11.81%)

Molar Mass: 271.033

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.950327
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DTDOTSMDADDJEH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.57
Topological Polar Surface Area 29.46
Polarizability 17.97
Ring Count 1
Rotatable Bond Count 3

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98% <6 Days 1253189-03-5 $409.40-$1,713.50$409.40$1,061.45$1,713.50
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