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2-(4-Bromo-2-chlorophenyl)ethanol

CAT: 0572-TRC-B682245-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B682245-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
916516-90-0
Synonyms
4-Bromo-2-chloro-benzeneethanol
Hazard Statement
No Data Available
Smiles
OCCc1ccc(Br)cc1Cl
Molecular Formula
C8H8BrClO
Molecular Weight
235.51
Shipping Conditions
Room Temperature

Chemical Information

2-(4-Bromo-2-chlorophenyl)ethan-1-ol
CAS Number916516-90-0
PubChem CID57842802
IUPAC Name2-(4-bromo-2-chlorophenyl)ethanol
Molecular FormulaC8H8BrClO
Molecular Weight235.50
XLogP2.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
C1=CC(=C(C=C1Br)Cl)CCO
InChI
InChI=1S/C8H8BrClO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2
InChIKey
WAUUNSIHRYKSEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromo-2-chlorophenyl)ethan-1-ol
CAS: 916516-90-0
CID: 57842802
Formula: C8H8BrClO
MW: 235.50
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.50
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass233.94471
Monoisotopic Mass233.94471
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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