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Home > Imidazoles > 848925-08-6
848925-08-6 | 2(3H)-Benzothiazolone, 6-(1H-imidazol-1-ylphenylmethyl)-
CAS No: 848925-08-6 Catalog No: AG004QE8 MDL No:
Product Description
Catalog Number:
AG004QE8
Chemical Name:
2(3H)-Benzothiazolone, 6-(1H-imidazol-1-ylphenylmethyl)-
CAS Number:
848925-08-6
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
IUPAC Name:
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C17H13N3OS/c21-17-19-14-7-6-13(10-15(14)22-17)16(20-9-8-18-11-20)12-4-2-1-3-5-12/h1-11,16H,(H,19,21)
InChI Key:
YUIAEBQBJVHDKE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(s1)cc(cc2)C(n1cncc1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.371g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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