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89117-39-5 | 2,7-Naphthalenedisulfonic acid, 4-[(3-bromophenyl)azo]-3-hydroxy-
CAS No: 89117-39-5 Catalog No: AG003YZG MDL No:
Product Description
Catalog Number:
AG003YZG
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4-[(3-bromophenyl)azo]-3-hydroxy-
CAS Number:
89117-39-5
Molecular Formula:
C16H11BrN2O7S2
Molecular Weight:
487.3017
IUPAC Name:
4-[(3-bromophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C16H11BrN2O7S2/c17-10-2-1-3-11(8-10)18-19-15-13-5-4-12(27(21,22)23)6-9(13)7-14(16(15)20)28(24,25)26/h1-8,20H,(H,21,22,23)(H,24,25,26)
InChI Key:
FJEDKZBTCVANSK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.919g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
487.295g/mol
Monoisotopic Mass:
485.919g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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