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Compound 2

CAT: 0926-BC178550-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-BC178550-01Size:1 mg
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CAS Number
281209-71-0
Smiles
CC (C) (C) NC1=NC2=CC (=C (C=C2N=C1S (=O) (=O) C) Cl) Cl
Molecular Formula
C13H15Cl2N3O2S
Molecular Weight
348.2 g/mol
Controlled
No

Chemical Information

N-(tert-Butyl)-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CAS Number281209-71-0
PubChem CID16007289
IUPAC NameN-tert-butyl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.2
XLogP3.9
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity475
SMILES
CC(C)(C)NC1=NC2=CC(=C(C=C2N=C1S(=O)(=O)C)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3O2S/c1-13(2,3)18-11-12(21(4,19)20)17-10-6-8(15)7(14)5-9(10)16-11/h5-6H,1-4H3,(H,16,18)
InChIKey
GNZCSGYHILBXLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(tert-Butyl)-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CAS: 281209-71-0
CID: 16007289
Formula: C13H15Cl2N3O2S
MW: 348.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.2
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass347.0262033
Monoisotopic Mass347.0262033
Topological Polar Surface Area80.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity475
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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