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2,6-Dimethoxybenzoyl chloride

CAT: 0127-OR1003515-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1003515-01Size:100 mg
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CAS Number
1989-53-3
MDL Number
MFCD00000665
Purity
90%
Smiles
COc1cccc(OC)c1C(Cl)=O

Chemical Information

2,6-Dimethoxybenzoyl chloride
CAS Number1989-53-3
PubChem CID74810
IUPAC Name2,6-dimethoxybenzoyl chloride
Molecular FormulaC9H9ClO3
Molecular Weight200.62
XLogP1.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity172
SMILES
COC1=C(C(=CC=C1)OC)C(=O)Cl
InChI
InChI=1S/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3
InChIKey
NDXRPDJVAUCBOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethoxybenzoyl chloride
CAS: 1989-53-3
CID: 74810
Formula: C9H9ClO3
MW: 200.62
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.62
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass200.0240218
Monoisotopic Mass200.0240218
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity172
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