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Moxifloxacin Impurity 72

CAT: 1299-RM-M160272-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M160272-01Size:10 mg
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CAS Number
121577-35-3
Synonyms
Ethyl 3- (dimethylamino) -2- (2,4,5-trifluoro-3-methoxybenzoyl) acrylate
Molecular Formula
C15H16F3NO4
Molecular Weight
331.29
Target Alternative Name
Moxifloxacin
Product Name Synonym
Ethyl 3- (dimethylamino) -2- (2,4,5-trifluoro-3-methoxybenzoyl) acrylate

Chemical Information

Ethyl3-(dimethylamino)-2-(2,4,5-trifluoro-3-methoxybenzoyl)acrylate
CAS Number121577-35-3
PubChem CID75576563
IUPAC Nameethyl 3-(dimethylamino)-2-(2,4,5-trifluoro-3-methoxybenzoyl)prop-2-enoate
Molecular FormulaC15H16F3NO4
Molecular Weight331.29
XLogP2.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity470
SMILES
CCOC(=O)C(=CN(C)C)C(=O)C1=CC(=C(C(=C1F)OC)F)F
InChI
InChI=1S/C15H16F3NO4/c1-5-23-15(21)9(7-19(2)3)13(20)8-6-10(16)12(18)14(22-4)11(8)17/h6-7H,5H2,1-4H3
InChIKey
SDERJCOTKYHVKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl3-(dimethylamino)-2-(2,4,5-trifluoro-3-methoxybenzoyl)acrylate
CAS: 121577-35-3
CID: 75576563
Formula: C15H16F3NO4
MW: 331.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.29
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass331.10314248
Monoisotopic Mass331.10314248
Topological Polar Surface Area55.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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