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117-61-3 | [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-
CAS No: 117-61-3 Catalog No: AG000DIH MDL No:MFCD00041885
Product Description
Catalog Number:
AG000DIH
Chemical Name:
[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-
CAS Number:
117-61-3
Molecular Formula:
C12H12N2O6S2
Molecular Weight:
344.3635
MDL Number:
MFCD00041885
IUPAC Name:
5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
InChI:
InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)
InChI Key:
MBJAPGAZEWPEFB-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N
EC Number:
204-200-0
UNII:
ALF643N2EQ
NSC Number:
3763
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.014g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
344.356g/mol
Monoisotopic Mass:
344.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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