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2,5-Dichloro-4-methoxybenzaldehyde

CAT: 0926-GQA22974-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-GQA22974-01Size:0.5 g
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CAS Number
381229-74-9
MDL Number
MFCD13192728
Smiles
COC1=C (C=C (C (=C1) Cl) C=O) Cl
Molecular Formula
C8H6Cl2O2
Molecular Weight
205.03 g/mol
Controlled
No

Chemical Information

2,5-Dichloro-4-methoxybenzaldehyde
CAS Number381229-74-9
PubChem CID71695551
IUPAC Name2,5-dichloro-4-methoxybenzaldehyde
Molecular FormulaC8H6Cl2O2
Molecular Weight205.03
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
COC1=C(C=C(C(=C1)Cl)C=O)Cl
InChI
InChI=1S/C8H6Cl2O2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3
InChIKey
JUFGYSCJWDURGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichloro-4-methoxybenzaldehyde
CAS: 381229-74-9
CID: 71695551
Formula: C8H6Cl2O2
MW: 205.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.03
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass203.9744848
Monoisotopic Mass203.9744848
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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