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113825-80-2

113825-80-2 | 5-Benzofuranol, 2-amino-3-(2-benzothiazolyl)-

CAS No: 113825-80-2 Catalog No: AG0009TM MDL No:

Product Description

Catalog Number:
AG0009TM
Chemical Name:
5-Benzofuranol, 2-amino-3-(2-benzothiazolyl)-
CAS Number:
113825-80-2
Molecular Formula:
C15H10N2O2S
Molecular Weight:
282.3171
IUPAC Name:
2-amino-3-(1,3-benzothiazol-2-yl)-1-benzofuran-5-ol
InChI:
InChI=1S/C15H10N2O2S/c16-14-13(9-7-8(18)5-6-11(9)19-14)15-17-10-3-1-2-4-12(10)20-15/h1-7,18H,16H2
InChI Key:
MNPOCOLKNAYTBK-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(c1nc3c(s1)cccc3)c(o2)N

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.046g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.317g/mol
Monoisotopic Mass:
282.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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