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WQ 2743 10mg

CAT: 0628-A20069-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20069-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189280-13-5

Chemical Information

1-(6-Amino-3,5-difluoropyridin-2-yl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CAS Number189280-13-5
PubChem CID9870502
IUPAC Name1-(6-amino-3,5-difluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H15BrF3N5O3
Molecular Weight498.3
XLogP0.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity770
SMILES
CNC1CN(C1)C2=C(C=C3C(=C2Br)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F
InChI
InChI=1S/C19H15BrF3N5O3/c1-25-7-4-27(5-7)15-10(21)2-8-14(13(15)20)28(6-9(16(8)29)19(30)31)18-12(23)3-11(22)17(24)26-18/h2-3,6-7,25H,4-5H2,1H3,(H2,24,26)(H,30,31)
InChIKey
LQDVQPGHLHYNSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-Amino-3,5-difluoropyridin-2-yl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CAS: 189280-13-5
CID: 9870502
Formula: C19H15BrF3N5O3
MW: 498.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.3
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass497.03104
Monoisotopic Mass497.03104
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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