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136514-35-7 | 1,2-Benzenediol, 4-[2-(6-bromo-2-benzothiazolyl)diazenyl]-
CAS No: 136514-35-7 Catalog No: AG0011XG MDL No:
Product Description
Catalog Number:
AG0011XG
Chemical Name:
1,2-Benzenediol, 4-[2-(6-bromo-2-benzothiazolyl)diazenyl]-
CAS Number:
136514-35-7
Molecular Formula:
C13H8BrN3O2S
Molecular Weight:
350.1905
IUPAC Name:
4-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]benzene-1,2-diol
InChI:
InChI=1S/C13H8BrN3O2S/c14-7-1-3-9-12(5-7)20-13(15-9)17-16-8-2-4-10(18)11(19)6-8/h1-6,18-19H
InChI Key:
LHNTVXAOMZGKAJ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)sc(n2)N=Nc1ccc(c(c1)O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.952g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.19g/mol
Monoisotopic Mass:
348.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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