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Troxipide Impurity 2

CAT: 1299-RM-T182402-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T182402-03Size:50 mg
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CAS Number
4521-61-3
Synonyms
3,4,5-trimethoxybenzoyl chloride
Molecular Formula
C10H11ClO4
Molecular Weight
230.64
Target Alternative Name
Troxipide
Product Name Synonym
3,4,5-trimethoxybenzoyl chloride

Chemical Information

Benzoyl chloride, 3,4,5-trimethoxy-
CAS Number4521-61-3
PubChem CID78282
IUPAC Name3,4,5-trimethoxybenzoyl chloride
Molecular FormulaC10H11ClO4
Molecular Weight230.64
XLogP2.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)Cl
InChI
InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
InChIKey
BUHYMJLFRZAFBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoyl chloride, 3,4,5-trimethoxy-
CAS: 4521-61-3
CID: 78282
Formula: C10H11ClO4
MW: 230.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.64
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass230.0345865
Monoisotopic Mass230.0345865
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
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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