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189103-04-6 | 1,3-Propanediol, 2-[2-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-1-yl)ethyl]-
CAS No: 189103-04-6 Catalog No: AG002HVU MDL No:
Product Description
Catalog Number:
AG002HVU
Chemical Name:
1,3-Propanediol, 2-[2-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-1-yl)ethyl]-
CAS Number:
189103-04-6
Molecular Formula:
C11H13Cl2N3O2
Molecular Weight:
290.1458
IUPAC Name:
2-[2-(5,6-dichloroimidazo[4,5-b]pyridin-1-yl)ethyl]propane-1,3-diol
InChI:
InChI=1S/C11H13Cl2N3O2/c12-8-3-9-11(15-10(8)13)14-6-16(9)2-1-7(4-17)5-18/h3,6-7,17-18H,1-2,4-5H2
InChI Key:
NBMJVGPUAFAKNF-UHFFFAOYSA-N
SMILES:
OCC(CCn1cnc2c1cc(Cl)c(n2)Cl)CO
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.144g/mol
Monoisotopic Mass:
289.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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