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2-Bromo-6-ethylphenol

CAT: 0127-OR1095919-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1095919-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24885-48-1
MDL Number
MFCD01707689
Purity
97%
Smiles
C1ccc (c (c1Br) O) CC

Chemical Information

Phenol, 2-bromo-6-ethyl-
CAS Number24885-48-1
PubChem CID212781
IUPAC Name2-bromo-6-ethylphenol
Molecular FormulaC8H9BrO
Molecular Weight201.06
XLogP3.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
CCC1=C(C(=CC=C1)Br)O
InChI
InChI=1S/C8H9BrO/c1-2-6-4-3-5-7(9)8(6)10/h3-5,10H,2H2,1H3
InChIKey
KTIRRDOBTNZKNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 2-bromo-6-ethyl-
CAS: 24885-48-1
CID: 212781
Formula: C8H9BrO
MW: 201.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.06
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass199.98368
Monoisotopic Mass199.98368
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
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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