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4-Bromo-2-(1-methylethyl)phenol

CAT: 0572-TRC-B684725-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684725-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26307-50-6
Synonyms
4-Bromo-2-isopropyl-phenol; 4-Bromo-2-isopropylphenol;
Hazard Statement
No Data Available
Smiles
CC(C)c1cc(Br)ccc1O
Molecular Formula
C9H11BrO
Molecular Weight
215.09
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Bromo-2-(propan-2-yl)phenol
CAS Number26307-50-6
PubChem CID14793482
IUPAC Name4-bromo-2-propan-2-ylphenol
Molecular FormulaC9H11BrO
Molecular Weight215.09
XLogP3.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity125
SMILES
CC(C)C1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C9H11BrO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
InChIKey
IRIAFTMIYRJHNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-(propan-2-yl)phenol
CAS: 26307-50-6
CID: 14793482
Formula: C9H11BrO
MW: 215.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.09
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass213.99933
Monoisotopic Mass213.99933
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity125
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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