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82599-59-5 | 6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonic acid
CAS No: 82599-59-5 Catalog No: AG00GPKN MDL No:
Product Description
Catalog Number:
AG00GPKN
Chemical Name:
6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonic acid
CAS Number:
82599-59-5
IUPAC Name:
6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
InChI:
InChI=1S/C28H18N8O14S2/c37-22-8-7-19(28(40)24(22)33-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42/h1-12,37-40H,(H,45,46,47)(H,48,49,50)
InChI Key:
WZASHSRORGLPMT-UHFFFAOYSA-N
EC Number:
280-004-9
Properties
Complexity:
1590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
754.038g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
754.614g/mol
Monoisotopic Mass:
754.038g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
372A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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