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6-Bromochromen-2-one

CAT: 0127-OR90106-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR90106-01Size:1 g
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CAS Number
19063-55-9
MDL Number
MFCD01327473
Purity
97%
Smiles
C1=C(Br)C=CC2=C1C=CC(O2)=O

Chemical Information

6-Bromo-2H-chromen-2-one
CAS Number19063-55-9
PubChem CID287181
IUPAC Name6-bromochromen-2-one
Molecular FormulaC9H5BrO2
Molecular Weight225.04
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity225
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1Br
InChI
InChI=1S/C9H5BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKey
XXRJDOQENVGLJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-2H-chromen-2-one
CAS: 19063-55-9
CID: 287181
Formula: C9H5BrO2
MW: 225.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.04
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass223.94729
Monoisotopic Mass223.94729
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity225
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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