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Home > Imidazoles > 929975-66-6
929975-66-6 | 4-({imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)benzoic acid
CAS No: 929975-66-6 Catalog No: AG019KHF MDL No:MFCD09040466
Product Description
Catalog Number:
AG019KHF
Chemical Name:
4-({imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)benzoic acid
CAS Number:
929975-66-6
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
MDL Number:
MFCD09040466
IUPAC Name:
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
InChI:
InChI=1S/C15H12N2O2S/c18-15(19)11-4-6-13(7-5-11)20-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10H2,(H,18,19)
InChI Key:
MIJFWPPINOKNBT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)SCc1nc2n(c1)cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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