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10205-68-2 | 1,2-Benzenediol, 4-(6-methyl-2-benzothiazolyl)-
CAS No: 10205-68-2 Catalog No: AG0006GB MDL No:
Product Description
Catalog Number:
AG0006GB
Chemical Name:
1,2-Benzenediol, 4-(6-methyl-2-benzothiazolyl)-
CAS Number:
10205-68-2
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
4-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,2-diol
InChI:
InChI=1S/C14H11NO2S/c1-8-2-4-10-13(6-8)18-14(15-10)9-3-5-11(16)12(17)7-9/h2-7,16-17H,1H3
InChI Key:
FIFJZKRXTFMTOL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)c1ccc(c(c1)O)O
Properties
Complexity:
302
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:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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