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3-Bromofuran-2-carbaldehyde

CAT: 0926-PAA75778-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-PAA75778-01Size:25 g
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CAS Number
14757-78-9
MDL Number
MFCD07368224
Smiles
C1=COC (=C1Br) C=O
Molecular Formula
C5H3BrO2
Molecular Weight
174.98 g/mol
Controlled
No

Chemical Information

3-Bromo-2-furaldehyde
CAS Number14757-78-9
PubChem CID3367271
IUPAC Name3-bromofuran-2-carbaldehyde
Molecular FormulaC5H3BrO2
Molecular Weight174.98
XLogP1.5
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity94
SMILES
C1=COC(=C1Br)C=O
InChI
InChI=1S/C5H3BrO2/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKey
KSAVZSUPQGDMRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-2-furaldehyde
CAS: 14757-78-9
CID: 3367271
Formula: C5H3BrO2
MW: 174.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.98
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass173.93164
Monoisotopic Mass173.93164
Topological Polar Surface Area30.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity94.4
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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