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Crizotinib Impurity 24

CAT: 1299-RM-C182624-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C182624-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1394346-24-7
Synonyms
(R) -5-bromo-3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) -2-nitropyridine
Molecular Formula
C13H8BrCl2FN2O3
Molecular Weight
410.02
Target Alternative Name
Crizotinib
Product Name Synonym
(R) -5-bromo-3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) -2-nitropyridine

Chemical Information

5-Bromo-3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine
CAS Number1394346-24-7
PubChem CID68194398
IUPAC Name5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-nitropyridine
Molecular FormulaC13H8BrCl2FN2O3
Molecular Weight410.0
XLogP4.9
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity404
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C13H8BrCl2FN2O3/c1-6(11-8(15)2-3-9(17)12(11)16)22-10-4-7(14)5-18-13(10)19(20)21/h2-6H,1H3/t6-/m1/s1
InChIKey
QEOIXKVEGKNSPD-ZCFIWIBFSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine
CAS: 1394346-24-7
CID: 68194398
Formula: C13H8BrCl2FN2O3
MW: 410.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.0
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass407.90794
Monoisotopic Mass407.90794
Topological Polar Surface Area67.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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