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1- (4-bromo-2,3-dichlorophenyl) ethanol

CAT: 0127-OR1087639-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1087639-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2168866-96-2
MDL Number
MFCD30497260
Purity
95%
Smiles
C1 (ccc (c (c1Cl) Cl) Br) C (O) C

Chemical Information

1-(4-Bromo-2,3-dichlorophenyl)ethanol
CAS Number2168866-96-2
PubChem CID178204411
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)ethanol
Molecular FormulaC8H7BrCl2O
Molecular Weight269.95
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
CC(C1=C(C(=C(C=C1)Br)Cl)Cl)O
InChI
InChI=1S/C8H7BrCl2O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-4,12H,1H3
InChIKey
MKKPPJHVNAZNJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromo-2,3-dichlorophenyl)ethanol
CAS: 2168866-96-2
CID: 178204411
Formula: C8H7BrCl2O
MW: 269.95
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.95
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass267.90573
Monoisotopic Mass267.90573
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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