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2- (4-Bromophenoxy) benzaldehyde

CAT: 0127-OR110489-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR110489-01Size:1 g
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CAS Number
364323-77-3
MDL Number
MFCD11156483
Purity
=95%
Smiles
Brc1ccc(Oc2ccccc2C=O)cc1

Chemical Information

2-(4-Bromophenoxy)benzaldehyde
CAS Number364323-77-3
PubChem CID28604058
IUPAC Name2-(4-bromophenoxy)benzaldehyde
Molecular FormulaC13H9BrO2
Molecular Weight277.11
XLogP3.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity224
SMILES
C1=CC=C(C(=C1)C=O)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKey
YRBZIYHJSQZONN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenoxy)benzaldehyde
CAS: 364323-77-3
CID: 28604058
Formula: C13H9BrO2
MW: 277.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.11
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass275.97859
Monoisotopic Mass275.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity224
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