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73212-08-5 | 1,4-Benzenediol, 2-(2H-1,4-benzothiazin-3-yl)-
CAS No: 73212-08-5 Catalog No: AG00630E MDL No:
Product Description
Catalog Number:
AG00630E
Chemical Name:
1,4-Benzenediol, 2-(2H-1,4-benzothiazin-3-yl)-
CAS Number:
73212-08-5
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
2-(2H-1,4-benzothiazin-3-yl)benzene-1,4-diol
InChI:
InChI=1S/C14H11NO2S/c16-9-5-6-13(17)10(7-9)12-8-18-14-4-2-1-3-11(14)15-12/h1-7,16-17H,8H2
InChI Key:
YKPBPNAARWCHJG-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C1=Nc2c(SC1)cccc2)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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