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174623-09-7 | Benzoic acid, 4-[5-(2-benzothiazolyl)-2-thienyl]-
CAS No: 174623-09-7 Catalog No: AG001ZTD MDL No:
Product Description
Catalog Number:
AG001ZTD
Chemical Name:
Benzoic acid, 4-[5-(2-benzothiazolyl)-2-thienyl]-
CAS Number:
174623-09-7
Molecular Formula:
C18H11NO2S2
Molecular Weight:
337.4154
IUPAC Name:
4-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]benzoic acid
InChI:
InChI=1S/C18H11NO2S2/c20-18(21)12-7-5-11(6-8-12)14-9-10-16(22-14)17-19-13-3-1-2-4-15(13)23-17/h1-10H,(H,20,21)
InChI Key:
UZICSOOESKDHCE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(s1)c1nc2c(s1)cccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.023g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.411g/mol
Monoisotopic Mass:
337.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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