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101309-07-3 | 1,5-Naphthalenedisulfonic acid, 3-[2-(4-amino-3-sulfophenyl)diazenyl]-
CAS No: 101309-07-3 Catalog No: AG000478 MDL No:
Product Description
Catalog Number:
AG000478
Chemical Name:
1,5-Naphthalenedisulfonic acid, 3-[2-(4-amino-3-sulfophenyl)diazenyl]-
CAS Number:
101309-07-3
Molecular Formula:
C16H13N3O9S3
Molecular Weight:
487.4841
IUPAC Name:
3-[(4-amino-3-sulfophenyl)diazenyl]naphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C16H13N3O9S3/c17-13-5-4-9(7-16(13)31(26,27)28)18-19-10-6-12-11(15(8-10)30(23,24)25)2-1-3-14(12)29(20,21)22/h1-8H,17H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)
InChI Key:
NPVKHJDEDNVDRE-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1S(=O)(=O)O)N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O
Properties
Complexity:
996
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.981g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
487.472g/mol
Monoisotopic Mass:
486.981g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
239A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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