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149143-57-7 | 2-(4-Hydroxy-phenyl)-benzothiazole-6-carboxylic acid
CAS No: 149143-57-7 Catalog No: AG01F8L0 MDL No:
Product Description
Catalog Number:
AG01F8L0
Chemical Name:
2-(4-Hydroxy-phenyl)-benzothiazole-6-carboxylic acid
CAS Number:
149143-57-7
Molecular Formula:
C14H9NO3S
Molecular Weight:
271.2912
IUPAC Name:
2-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C14H9NO3S/c16-10-4-1-8(2-5-10)13-15-11-6-3-9(14(17)18)7-12(11)19-13/h1-7,16H,(H,17,18)
InChI Key:
YCMUXDJTCIQKIJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c(s1)cc(cc2)C(=O)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.29g/mol
Monoisotopic Mass:
271.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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