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3-Bromo-4-ethoxy-phenol

CAT: 0572-TRC-B689120-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B689120-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216224-85-9
Synonyms
3-Bromo-4-ethoxyphenol;
Hazard Statement
No Data Available
Smiles
CCOc1ccc(O)cc1Br
Molecular Formula
C8H9BrO2
Molecular Weight
217.06
Shipping Conditions
Room Temperature

Chemical Information

3-Bromo-4-ethoxy-phenol
CAS Number1216224-85-9
PubChem CID67321888
IUPAC Name3-bromo-4-ethoxyphenol
Molecular FormulaC8H9BrO2
Molecular Weight217.06
XLogP2.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CCOC1=C(C=C(C=C1)O)Br
InChI
InChI=1S/C8H9BrO2/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5,10H,2H2,1H3
InChIKey
MOXGMZGQKJJKOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-4-ethoxy-phenol
CAS: 1216224-85-9
CID: 67321888
Formula: C8H9BrO2
MW: 217.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.06
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass215.97859
Monoisotopic Mass215.97859
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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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