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2,6-Dibromo-4-methylphenol

CAT: 0572-TRC-D425908-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D425908-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2432-14-6
Synonyms
2,6-Dibromo-(6CI,7CI,8CI)-p-cresol; 2,6-Dibromo-4-cresol; 2,6-Dibromo-p-cresol; Dibromocresol; NSC 76596;
Hazard Statement
No Data Available
Smiles
Cc1cc(Br)c(O)c(Br)c1
Molecular Formula
C7H6Br2O
Molecular Weight
265.93
Shipping Conditions
Room Temperature

Chemical Information

p-Cresol, 2,6-dibromo-
CAS Number2432-14-6
PubChem CID17078
IUPAC Name2,6-dibromo-4-methylphenol
Molecular FormulaC7H6Br2O
Molecular Weight265.93
XLogP3.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity106
SMILES
CC1=CC(=C(C(=C1)Br)O)Br
InChI
InChI=1S/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKey
FIGPGTJKHFAYRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Cresol, 2,6-dibromo-
CAS: 2432-14-6
CID: 17078
Formula: C7H6Br2O
MW: 265.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.93
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass265.87649
Monoisotopic Mass263.87854
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity106
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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