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4-(2-Bromoethoxy)benzaldehyde-d4

CAT: 0572-TRC-B686694-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B686694-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2733390-33-3
Hazard Statement
No Data Available
Smiles
O=CC1=CC=C(OC([2H])([2H])C([2H])([2H])Br)C=C1
Molecular Formula
C9H5D4BrO2
Molecular Weight
233.1
InChI
InChI=1S/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2/i5D2,6D2
Additionnal Information
IUPAC name: 4-(2-bromoethoxy-1,1,2,2-d4)benzaldehyde
Shipping Conditions
Room Temperature

Chemical Information

4-(2-Bromoethoxy)benzaldehyde-d4
CAS Number2733390-33-3
PubChem CID169435081
IUPAC Name4-(2-bromo-1,1,2,2-tetradeuterioethoxy)benzaldehyde
Molecular FormulaC9H9BrO2
Molecular Weight233.09
XLogP2.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
[2H]C([2H])(C([2H])([2H])Br)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2/i5D2,6D2
InChIKey
XFHTVCMRNSBQCF-NZLXMSDQSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Bromoethoxy)benzaldehyde-d4
CAS: 2733390-33-3
CID: 169435081
Formula: C9H9BrO2
MW: 233.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.09
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass232.00370
Monoisotopic Mass232.00370
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
Isotope Atom Count4
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
428541-014- (2-Bromoethoxy) benzaldehyde-d4
HY-W0803794- (2-Bromoethoxy) benzaldehyde
OR32620-012- (2-Bromoethoxy) benzaldehyde
428542-014- (2-Bromoethoxy) benzenemethanol-d4
HY-W700095-011- (2-Bromoethoxy) -4-nitrobenzene-d4
408490-011-[ (2-Bromoethoxy) phenylmethyl]-2-methylbenzene-d4
E8609-70N4-[2- (5-Ethyl-2-pyridinyl) -d4-ethoxy]-benzaldehyde (4-[2- (5-Ethyl-2-pyridyl) ethoxy-d4]benzaldehyde)
MBS6067062-014-[2-(5-Ethyl-2-pyridinyl)-d4-ethoxy]-benzaldehyde (4-[2-(5-Ethyl-2-pyridyl)ethoxy-d4]benzaldehyde)
sc-2766374- (2-bromoethoxy) benzenesulfonamide
OR94979-014- (2-Bromoethoxy) benzonitrile

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