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Chloramphenicol Impurity 11

CAT: 1299-RM-C080811-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C080811-01Size:10 mg
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CAS Number
1400740-46-6
Synonyms
2,2-dichloro-N- ((1R,2S) -3-fluoro-1-hydroxy-1- (4- (6- (1-methyl-1H-tetrazol-5-yl) pyridin-3-yl) phenyl) propan-2-yl) acetamide
Molecular Formula
C18H17Cl2FN6O2
Molecular Weight
439.27
Target Alternative Name
Chloramphenicol
Product Name Synonym
2,2-dichloro-N- ((1R,2S) -3-fluoro-1-hydroxy-1- (4- (6- (1-methyl-1H-tetrazol-5-yl) pyridin-3-yl) phenyl) propan-2-yl) acetamide

Chemical Information

Chloramphenicol Impurity 11
CAS Number1400740-46-6
PubChem CID46908457
IUPAC Name2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
Molecular FormulaC18H17Cl2FN6O2
Molecular Weight439.3
XLogP2
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity540
SMILES
CN1C(=NN=N1)C2=NC=C(C=C2)C3=CC=C(C=C3)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O
InChI
InChI=1S/C18H17Cl2FN6O2/c1-27-17(24-25-26-27)13-7-6-12(9-22-13)10-2-4-11(5-3-10)15(28)14(8-21)23-18(29)16(19)20/h2-7,9,14-16,28H,8H2,1H3,(H,23,29)/t14-,15-/m1/s1
InChIKey
KOPRIAIEEADUFH-HUUCEWRRSA-N
Chemical Structure
2D Structure
2D structure of Chloramphenicol Impurity 11
CAS: 1400740-46-6
CID: 46908457
Formula: C18H17Cl2FN6O2
MW: 439.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.3
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass438.0774074
Monoisotopic Mass438.0774074
Topological Polar Surface Area106 Ų
Heavy Atom Count29
Formal Charge0
Complexity540
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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