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5-Bromo-2-fluoro-3-hydroxybenzaldehyde

CAT: 0127-PC1013125-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1013125-01Size:250 mg
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CAS Number
1805416-29-8
MDL Number
MFCD28738858
Purity
95%
Smiles
C1 (cc (cc (c1F) O) Br) C=O

Chemical Information

5-Bromo-2-fluoro-3-hydroxybenzaldehyde
CAS Number1805416-29-8
PubChem CID131189528
IUPAC Name5-bromo-2-fluoro-3-hydroxybenzaldehyde
Molecular FormulaC7H4BrFO2
Molecular Weight219.01
XLogP1.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C1=C(C=C(C(=C1C=O)F)O)Br
InChI
InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(9)6(11)2-5/h1-3,11H
InChIKey
QOEIIZFYDSNZJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-fluoro-3-hydroxybenzaldehyde
CAS: 1805416-29-8
CID: 131189528
Formula: C7H4BrFO2
MW: 219.01
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.01
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass217.93787
Monoisotopic Mass217.93787
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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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