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4-(Difluoromethoxy)-3-hydroxybenzaldehyde

CAT: 0572-TRC-D446005-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D446005-1GSize:1 g
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CAS Number
151103-08-1
Synonyms
3-Hydroxy-4-difluoromethoxybenzaldehyde; 4-(Difluoromethoxy)-3-hydroxybenzaldehyde;
Hazard Statement
No Data Available
Smiles
Oc1cc(C=O)ccc1OC(F)F
Molecular Formula
C8H6F2O3
Molecular Weight
188.13
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-(Difluoromethoxy)-3-hydroxybenzaldehyde
CAS Number151103-08-1
PubChem CID2758295
IUPAC Name4-(difluoromethoxy)-3-hydroxybenzaldehyde
Molecular FormulaC8H6F2O3
Molecular Weight188.13
XLogP1.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity175
SMILES
C1=CC(=C(C=C1C=O)O)OC(F)F
InChI
InChI=1S/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H
InChIKey
ZLIKNROJGXXNJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Difluoromethoxy)-3-hydroxybenzaldehyde
CAS: 151103-08-1
CID: 2758295
Formula: C8H6F2O3
MW: 188.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.13
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass188.02850037
Monoisotopic Mass188.02850037
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity175
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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