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4-Bromo-2-hydroxybenzaldehyde

CAT: 0024-sc-226521Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-226521Size:500 mg
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CAS Number
22532-62-3

Chemical Information

4-Bromo-2-hydroxybenzaldehyde
CAS Number22532-62-3
PubChem CID4066019
IUPAC Name4-bromo-2-hydroxybenzaldehyde
Molecular FormulaC7H5BrO2
Molecular Weight201.02
XLogP2.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC(=C(C=C1Br)O)C=O
InChI
InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChIKey
HXTWKHXDFATMSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-hydroxybenzaldehyde
CAS: 22532-62-3
CID: 4066019
Formula: C7H5BrO2
MW: 201.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight201.02
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass199.94729
Monoisotopic Mass199.94729
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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