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Home > Imidazoles > 91362-44-6
91362-44-6 | Methanone, 1H-benzimidazol-2-yl-4-thiazolyl-
CAS No: 91362-44-6 Catalog No: AG006NR8 MDL No:
Product Description
Catalog Number:
AG006NR8
Chemical Name:
Methanone, 1H-benzimidazol-2-yl-4-thiazolyl-
CAS Number:
91362-44-6
Molecular Formula:
C11H7N3OS
Molecular Weight:
229.2578
IUPAC Name:
1H-benzimidazol-2-yl(1,3-thiazol-4-yl)methanone
InChI:
InChI=1S/C11H7N3OS/c15-10(9-5-16-6-12-9)11-13-7-3-1-2-4-8(7)14-11/h1-6H,(H,13,14)
InChI Key:
NIFSIQMCSYIZJO-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c([nH]1)cccc2)c1cscn1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.257g/mol
Monoisotopic Mass:
229.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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