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3-Difluoromethoxy-4-hydroxybenzaldehyde

CAT: 0572-TRC-D446085-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D446085-500MGSize:500 mg
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CAS Number
53173-70-9
Synonyms
3-Difluoromethoxy-4-hydroxybenzaldehyde
Hazard Statement
No Data Available
Smiles
Oc1ccc(C=O)cc1OC(F)F
Molecular Formula
C8 H6 F2 O3
Molecular Weight
188.128
InChI
InChI=1S/C8H6F2O3/c9-8(10)13-7-3-5(4-11)1-2-6(7)12/h1-4,8,12H
Additionnal Information
IUPAC name: 3-(difluoromethoxy)-4-hydroxybenzaldehyde
Shipping Conditions
Room Temperature

Chemical Information

3-(Difluoromethoxy)-4-hydroxybenzaldehyde
CAS Number53173-70-9
PubChem CID21176491
IUPAC Name3-(difluoromethoxy)-4-hydroxybenzaldehyde
Molecular FormulaC8H6F2O3
Molecular Weight188.13
XLogP2.2
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)OC(F)F)O
InChI
InChI=1S/C8H6F2O3/c9-8(10)13-7-3-5(4-11)1-2-6(7)12/h1-4,8,12H
InChIKey
BQWJKJOZIXNRID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Difluoromethoxy)-4-hydroxybenzaldehyde
CAS: 53173-70-9
CID: 21176491
Formula: C8H6F2O3
MW: 188.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.13
XLogP32.2
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

Related Products

CatalogName
TRC-D446005-1G4-(Difluoromethoxy)-3-hydroxybenzaldehyde
TRC-D446005-2G4-(Difluoromethoxy)-3-hydroxybenzaldehyde
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TRC-B286420-1G3-Benzyloxy-4-hydroxybenzaldehyde
TRC-B415380-25G3-Bromo-4-hydroxybenzaldehyde
TRC-I707250-1G3-Iodo-4-hydroxybenzaldehyde
TRC-B415380-5G3-Bromo-4-hydroxybenzaldehyde
TRC-B286420-10G3-Benzyloxy-4-hydroxybenzaldehyde
B2863554-Benzyloxy-3-hydroxybenzaldehyde
TRC-B415380-10G3-Bromo-4-hydroxybenzaldehyde

Alternative Products

CatalogName
sc-2773414-Difluoromethoxy-3-hydroxybenzaldehyde
PC911011-013- (Difluoromethoxy) -4-hydroxybenzaldehyde
PC8950-014- (Difluoromethoxy) -3-hydroxybenzaldehyde
FB30014-013-Bromo-4-hydroxybenzaldehyde
270237-013-Chloro-4-hydroxybenzaldehyde
sc-5037283-Benzyloxy-4-hydroxybenzaldehyde
sc-260942A3-Fluoro-4-hydroxybenzaldehyde
OR10927044-ethyl-3-hydroxybenzaldehyde
OR74284-014- (Benzyloxy) -3-hydroxybenzaldehyde
OR18302-013-Ethoxy-4-hydroxybenzaldehyde

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