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3-Bromo-5-propoxybenzaldehyde

CAT: 0127-OR1097081-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1097081-01Size:250 mg
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CAS Number
1579943-30-8
MDL Number
MFCD30296958
Purity
97%
Smiles
C1 (cc (cc (c1) Br) C=O) OCCC

Chemical Information

3-Bromo-5-propoxybenzaldehyde
CAS Number1579943-30-8
PubChem CID58270934
IUPAC Name3-bromo-5-propoxybenzaldehyde
Molecular FormulaC10H11BrO2
Molecular Weight243.10
XLogP2.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity161
SMILES
CCCOC1=CC(=CC(=C1)C=O)Br
InChI
InChI=1S/C10H11BrO2/c1-2-3-13-10-5-8(7-12)4-9(11)6-10/h4-7H,2-3H2,1H3
InChIKey
FKVGDMAQTHROHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-5-propoxybenzaldehyde
CAS: 1579943-30-8
CID: 58270934
Formula: C10H11BrO2
MW: 243.10
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.10
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass241.99424
Monoisotopic Mass241.99424
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity161
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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