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2494-93-1 | 1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]-
CAS No: 2494-93-1 Catalog No: AG002PYC MDL No:
Product Description
Catalog Number:
AG002PYC
Chemical Name:
1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]-
CAS Number:
2494-93-1
Molecular Formula:
C17H15N3O6S2
Molecular Weight:
421.4475
IUPAC Name:
7-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
InChI:
InChI=1S/C17H15N3O6S2/c1-10-6-12(18)3-5-16(10)20-19-13-4-2-11-7-14(27(21,22)23)9-17(15(11)8-13)28(24,25)26/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)
InChI Key:
LKAKVHLFQWPGQR-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)N=Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
EC Number:
219-670-2
NSC Number:
65536
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.04g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
421.442g/mol
Monoisotopic Mass:
421.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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