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3-Bromo-4-ethoxybenzaldehyde

CAT: 0127-OR75604-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR75604-01Size:1 g
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CAS Number
108373-05-3
MDL Number
MFCD00672941
Purity
98%
Smiles
O=CC1=CC=C(OCC)C(Br)=C1

Chemical Information

3-Bromo-4-ethoxybenzaldehyde
CAS Number108373-05-3
PubChem CID1494336
IUPAC Name3-bromo-4-ethoxybenzaldehyde
Molecular FormulaC9H9BrO2
Molecular Weight229.07
XLogP2.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
CCOC1=C(C=C(C=C1)C=O)Br
InChI
InChI=1S/C9H9BrO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-6H,2H2,1H3
InChIKey
TZUUPGZANQRCHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-4-ethoxybenzaldehyde
CAS: 108373-05-3
CID: 1494336
Formula: C9H9BrO2
MW: 229.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.07
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass227.97859
Monoisotopic Mass227.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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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Alternative Products

CatalogName
430972-014-Bromo-3-ethoxybenzaldehyde
IEA37305-013-Bromo-4-ethoxybenzaldehyde
430733-014-Bromo-2-ethoxybenzaldehyde
sc-3465563-bromo-4- (difluoromethoxy) -5-ethoxybenzaldehyde
GKB60164-013-Bromo-4-butoxy-5-ethoxybenzaldehyde
CIB59206-013-Bromo-4- (cyclopentyloxy) -5-ethoxybenzaldehyde
sc-348178A4- (allyloxy) -3-bromo-5-ethoxybenzaldehyde
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