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4,5-Dichloroveratrole

CAT: 0024-sc-299592Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-299592Size:500 mg
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CAS Number
2772-46-5

Chemical Information

4,5-Dichloroveratrole
CAS Number2772-46-5
PubChem CID17713
IUPAC Name1,2-dichloro-4,5-dimethoxybenzene
Molecular FormulaC8H8Cl2O2
Molecular Weight207.05
XLogP3.6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity127
SMILES
COC1=CC(=C(C=C1OC)Cl)Cl
InChI
InChI=1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
RJYXLZQZBLGBOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dichloroveratrole
CAS: 2772-46-5
CID: 17713
Formula: C8H8Cl2O2
MW: 207.05
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight207.05
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass205.9901349
Monoisotopic Mass205.9901349
Topological Polar Surface Area18.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity127
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