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866138-02-5

866138-02-5 | Imidazo[1,2-a]pyrimidine,2-(1,3-benzodioxol-5-yl)-

CAS No: 866138-02-5 Catalog No: AG008FJU MDL No:MFCD04126148

Product Description

Catalog Number:
AG008FJU
Chemical Name:
Imidazo[1,2-a]pyrimidine,2-(1,3-benzodioxol-5-yl)-
CAS Number:
866138-02-5
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD04126148
IUPAC Name:
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine
InChI:
InChI=1S/C13H9N3O2/c1-4-14-13-15-10(7-16(13)5-1)9-2-3-11-12(6-9)18-8-17-11/h1-7H,8H2
InChI Key:
SQORVQUIBGFWCS-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc(cc2)c1cn2c(n1)nccc2

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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