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4- (Difluoromethoxy) -2-fluorophenol

CAT: 0926-LAC47904-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-LAC47904-01Size:50 mg
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CAS Number
1261479-04-2
MDL Number
MFCD18395028
Smiles
C1=CC (=C (C=C1OC (F) F) F) O
Molecular Formula
C7H5F3O2
Molecular Weight
178.11 g/mol
Controlled
No

Chemical Information

4-(Difluoromethoxy)-2-fluorophenol
CAS Number1261479-04-2
PubChem CID112756660
IUPAC Name4-(difluoromethoxy)-2-fluorophenol
Molecular FormulaC7H5F3O2
Molecular Weight178.11
XLogP2.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity143
SMILES
C1=CC(=C(C=C1OC(F)F)F)O
InChI
InChI=1S/C7H5F3O2/c8-5-3-4(12-7(9)10)1-2-6(5)11/h1-3,7,11H
InChIKey
XCZAFMAVEKQTEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Difluoromethoxy)-2-fluorophenol
CAS: 1261479-04-2
CID: 112756660
Formula: C7H5F3O2
MW: 178.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.11
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass178.02416388
Monoisotopic Mass178.02416388
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
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

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PC502286-012- (Difluoromethoxy) -4-fluorophenol
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