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Moxifloxacin Impurityv

CAT: 1299-RM-M160222-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M160222-01Size:10 mg
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CAS Number
30825-34-4
Synonyms
3-AMINO-5- (TRIFLUOROMETHYL) BENZONITRILE
Molecular Formula
C8H5F3N2
Molecular Weight
186.13
Target Alternative Name
Moxifloxacin
Product Name Synonym
3-AMINO-5- (TRIFLUOROMETHYL) BENZONITRILE

Chemical Information

(2R,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
CAS Number30825-34-4
PubChem CID6544478
IUPAC Name(2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Molecular FormulaC16H15NO3S
Molecular Weight301.4
XLogP2.3
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity371
SMILES
COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC3=CC=CC=C3S2)O
InChI
InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKey
LHBHZALHFIQJGJ-HUUCEWRRSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
CAS: 30825-34-4
CID: 6544478
Formula: C16H15NO3S
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass301.07726451
Monoisotopic Mass301.07726451
Topological Polar Surface Area83.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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