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3-Bromo-5-chlorophenol

CAT: 0024-sc-483173Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-483173Size:5 g
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CAS Number
56962-04-0

Chemical Information

3-Bromo-5-chlorophenol
CAS Number56962-04-0
PubChem CID22630180
IUPAC Name3-bromo-5-chlorophenol
Molecular FormulaC6H4BrClO
Molecular Weight207.45
XLogP3.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=C(C=C(C=C1Cl)Br)O
InChI
InChI=1S/C6H4BrClO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
GMGWXLPFRHYWAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-5-chlorophenol
CAS: 56962-04-0
CID: 22630180
Formula: C6H4BrClO
MW: 207.45
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight207.45
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass205.91341
Monoisotopic Mass205.91341
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
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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