Moxifloxacin Impurity ⅴ

CAT: 1299-RM-M160247-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M160247-01Size:10 mg

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CAS Number

112811-67-3

Synonyms

Diethyl 2- (2,4,5-trifluoro-3-methoxybenzoyl) malonate

Molecular Formula

C15H15F3O6

Molecular Weight

348.27

Target Alternative Name

Moxifloxacin

Product Name Synonym

Diethyl 2- (2,4,5-trifluoro-3-methoxybenzoyl) malonate

Chemical Information

Diethyl 2-(2,4,5-trifluoro-3-methoxybenzoyl)malonate

CAS Number	112811-67-3
PubChem CID	14096371
IUPAC Name	diethyl 2-(2,4,5-trifluoro-3-methoxybenzoyl)propanedioate
Molecular Formula	C15H15F3O6
Molecular Weight	348.27
XLogP	2.8
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	24
Formal Charge	0
Complexity	454

SMILES

CCOC(=O)C(C(=O)C1=CC(=C(C(=C1F)OC)F)F)C(=O)OCC

InChI

InChI=1S/C15H15F3O6/c1-4-23-14(20)9(15(21)24-5-2)12(19)7-6-8(16)11(18)13(22-3)10(7)17/h6,9H,4-5H2,1-3H3

InChIKey

TVILLDNFYNNKTK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112811-67-3

CID: 14096371

Formula: C15H15F3O6

MW: 348.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.27
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	348.08207268
Monoisotopic Mass	348.08207268
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	454
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M160206-01	Moxifloxacin EP Impurity F (N-Methyl Moxifloxacin)
RM-M160201-01	Moxifloxacin EP Impurity A; USP Moxifloxacin Related Compound A
RM-M160231-01	Moxifloxacin Boron Complex Impurity
RM-M160429-01	Moxifloxacin Nitroso Impurity 229
RM-M160426-01	Moxifloxacin Nitroso Impurity 226
RM-M160238-01	Moxifloxacin EP Impurity H
RM-M160213-01	Moxifloxacin EP Impurity M
RM-M160205-01	Moxifloxacin EP Impurity E; USP Moxifloxacin Related Compound E
RM-M160207-01	Moxifloxacin EP Impurity G; USP Moxifloxacin Related Compound G
RM-M160203-01	Moxifloxacin EP Impurity C; USP Moxifloxacin Related Compound C