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2172-27-2 | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-thiazolylazo)-
CAS No: 2172-27-2 Catalog No: AG007PCC MDL No:
Product Description
Catalog Number:
AG007PCC
Chemical Name:
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-thiazolylazo)-
CAS Number:
2172-27-2
Molecular Formula:
C13H9N3O7S3
Molecular Weight:
415.4215
IUPAC Name:
3-hydroxy-4-(1,3-thiazol-2-yldiazenyl)naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C13H9N3O7S3/c17-12-10(26(21,22)23)6-7-5-8(25(18,19)20)1-2-9(7)11(12)15-16-13-14-3-4-24-13/h1-6,17H,(H,18,19,20)(H,21,22,23)
InChI Key:
HFYCTOFOVVRCQW-UHFFFAOYSA-N
SMILES:
Oc1c(N=Nc2nccs2)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.96g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
415.409g/mol
Monoisotopic Mass:
414.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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