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3695-41-8 | Benzoic acid, 2,4-dihydroxy-5-(2-thiazolylazo)-
CAS No: 3695-41-8 Catalog No: AG0077BB MDL No:
Product Description
Catalog Number:
AG0077BB
Chemical Name:
Benzoic acid, 2,4-dihydroxy-5-(2-thiazolylazo)-
CAS Number:
3695-41-8
Molecular Formula:
C10H7N3O4S
Molecular Weight:
265.2453
IUPAC Name:
2,4-dihydroxy-5-(1,3-thiazol-2-yldiazenyl)benzoic acid
InChI:
InChI=1S/C10H7N3O4S/c14-7-4-8(15)6(3-5(7)9(16)17)12-13-10-11-1-2-18-10/h1-4,14-15H,(H,16,17)
InChI Key:
DWHCOZIQWAFPLO-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(cc1N=Nc1nccs1)C(=O)O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.243g/mol
Monoisotopic Mass:
265.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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