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Haloxyfop-phenol

CAT: 0926-UCA04589Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-UCA04589Size:250 mg
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CAS Number
69045-89-2
Smiles
C (#N) C1=C (C (=C (N=C1Br) Br) Br) Br
Molecular Formula
C12H7ClF3NO2
Molecular Weight
289.64 g/mol
Controlled
No

Chemical Information

4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxyphenol
CAS Number69045-89-2
PubChem CID9795997
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64
XLogP3.9
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity295
SMILES
C1=CC(=CC=C1O)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C12H7ClF3NO2/c13-10-5-7(12(14,15)16)6-17-11(10)19-9-3-1-8(18)2-4-9/h1-6,18H
InChIKey
NMJNUBBLJFJUKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxyphenol
CAS: 69045-89-2
CID: 9795997
Formula: C12H7ClF3NO2
MW: 289.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight289.64
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass289.0117406
Monoisotopic Mass289.0117406
Topological Polar Surface Area42.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes