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85204-15-5 | 2,7-Naphthalenedisulfonicacid, 4-amino-3-[2-(4-aminophenyl)diazenyl]-5-hydroxy-
CAS No: 85204-15-5 Catalog No: AG004QGL MDL No:
Product Description
Catalog Number:
AG004QGL
Chemical Name:
2,7-Naphthalenedisulfonicacid, 4-amino-3-[2-(4-aminophenyl)diazenyl]-5-hydroxy-
CAS Number:
85204-15-5
Molecular Formula:
C16H14N4O7S2
Molecular Weight:
438.4350
IUPAC Name:
4-amino-3-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C16H14N4O7S2/c17-9-1-3-10(4-2-9)19-20-16-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(21)14(8)15(16)18/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27)
InChI Key:
BSFBAYPKFNQEEM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N=Nc1c(N)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O
EC Number:
286-309-3
Properties
Complexity:
815
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.03g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
438.429g/mol
Monoisotopic Mass:
438.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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