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Home > Imidazoles > 1426142-92-8
1426142-92-8 | 2-(2H-1,3-benzodioxol-5-yl)-3-iodoimidazo[1,2-a]pyrimidine
CAS No: 1426142-92-8 Catalog No: AG00JWJF MDL No:MFCD26383460
Product Description
Catalog Number:
AG00JWJF
Chemical Name:
2-(2H-1,3-benzodioxol-5-yl)-3-iodoimidazo[1,2-a]pyrimidine
CAS Number:
1426142-92-8
Molecular Formula:
C13H8IN3O2
Molecular Weight:
365.1260
MDL Number:
MFCD26383460
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-3-iodoimidazo[1,2-a]pyrimidine
InChI:
InChI=1S/C13H8IN3O2/c14-12-11(16-13-15-4-1-5-17(12)13)8-2-3-9-10(6-8)19-7-18-9/h1-6H,7H2
InChI Key:
JSNVBVSNIWHXTD-UHFFFAOYSA-N
SMILES:
Ic1c(nc2n1cccn2)c1ccc2c(c1)OCO2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.966g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.13g/mol
Monoisotopic Mass:
364.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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