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4,5-Dichloroveratrole

CAT: 0572-TRC-D437580-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D437580-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2772-46-5
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
COc1cc(Cl)c(Cl)cc1OC
Molecular Formula
C8H8O2Cl2
Molecular Weight
207.05
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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
Loading 3D structure...
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