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Moxifloxacin Impurity 101

CAT: 1299-RM-M160301-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M160301-01Size:10 mg
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CAS Number
1824286-08-9
Synonyms
2,4-difluoro-3,5-dimethoxybenzoyl chloride
Molecular Formula
C9H7ClF2O3
Molecular Weight
236.6
Target Alternative Name
Moxifloxacin
Product Name Synonym
2,4-difluoro-3,5-dimethoxybenzoyl chloride

Chemical Information

2,4-Difluoro-3,5-dimethoxybenzoyl chloride
CAS Number1824286-08-9
PubChem CID154725258
IUPAC Name2,4-difluoro-3,5-dimethoxybenzoyl chloride
Molecular FormulaC9H7ClF2O3
Molecular Weight236.60
XLogP2.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity239
SMILES
COC1=C(C(=C(C(=C1)C(=O)Cl)F)OC)F
InChI
InChI=1S/C9H7ClF2O3/c1-14-5-3-4(9(10)13)6(11)8(15-2)7(5)12/h3H,1-2H3
InChIKey
FASBSPHKXYQOJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluoro-3,5-dimethoxybenzoyl chloride
CAS: 1824286-08-9
CID: 154725258
Formula: C9H7ClF2O3
MW: 236.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.60
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass236.0051781
Monoisotopic Mass236.0051781
Topological Polar Surface Area35.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity239
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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