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Home > Imidazoles > 88710-34-3
88710-34-3 | 1H-Imidazo[4,5-b]pyrazine, 2-[4-(2-propynyloxy)phenyl]-
CAS No: 88710-34-3 Catalog No: AG0046DG MDL No:
Product Description
Catalog Number:
AG0046DG
Chemical Name:
1H-Imidazo[4,5-b]pyrazine, 2-[4-(2-propynyloxy)phenyl]-
CAS Number:
88710-34-3
Molecular Formula:
C14H10N4O
Molecular Weight:
250.2554
IUPAC Name:
2-(4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyrazine
InChI:
InChI=1S/C14H10N4O/c1-2-9-19-11-5-3-10(4-6-11)12-17-13-14(18-12)16-8-7-15-13/h1,3-8H,9H2,(H,15,16,17,18)
InChI Key:
WVTQKKCHTJVTOS-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1)c1nc2c([nH]1)nccn2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.261g/mol
Monoisotopic Mass:
250.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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