Moxifloxacin Impurity 101

CAT: 1596-AR-M05163-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M05163-01Size:10 Units

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CAS Number

1413927-17-9

Molecular Formula

C8H5F3O3

Molecular Weight

206.12

API Name

Moxifloxacin

Chemical Information

2-Methoxy-3,4,5-trifluorobenzoic acid

CAS Number	1413927-17-9
PubChem CID	18931698
IUPAC Name	3,4,5-trifluoro-2-methoxybenzoic acid
Molecular Formula	C8H5F3O3
Molecular Weight	206.12
XLogP	1.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	224

SMILES

COC1=C(C(=C(C=C1C(=O)O)F)F)F

InChI

InChI=1S/C8H5F3O3/c1-14-7-3(8(12)13)2-4(9)5(10)6(7)11/h2H,1H3,(H,12,13)

InChIKey

BXTGAJFHPNZTOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1413927-17-9

CID: 18931698

Formula: C8H5F3O3

MW: 206.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.12
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	206.01907850
Monoisotopic Mass	206.01907850
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
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-M160266-01	Moxifloxacin Impurity 38; Moxifloxacin Impurity X
RM-M160246-01	Moxifloxacin Impurity ⅳ
RM-M160248-01	Moxifloxacin Impurity ⅵ
RM-M160249-01	Moxifloxacin Impurity ⅶ
RM-M160250-01	Moxifloxacin Impurity ⅷ
RM-M160256-01	Moxifloxacin Impurity ⅺ
RM-M160245-01	Moxifloxacin Impurity ⅲ
RM-M160254-01	Moxifloxacin Impurity ⅹ
RM-M160247-01	Moxifloxacin Impurity ⅴ
RM-M160257-01	Moxifloxacin Impurity ⅻ