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72152-66-0

72152-66-0 | 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulphobenzothiazol-2-yl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid

CAS No: 72152-66-0 Catalog No: AG00FOUH MDL No:

Product Description

Catalog Number:
AG00FOUH
Chemical Name:
5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulphobenzothiazol-2-yl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid
CAS Number:
72152-66-0
IUPAC Name:
5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C36H24N8O14S4/c1-17-10-29-33(30(11-17)61(53,54)55)37-36(59-29)18-2-4-20(5-3-18)38-40-24-15-25(28(46)16-27(24)45)41-42-26-14-23(60(50,51)52)12-19-13-31(62(56,57)58)34(35(47)32(19)26)43-39-21-6-8-22(9-7-21)44(48)49/h2-16,45-47H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)
InChI Key:
HKOAIEWUIIILPI-UHFFFAOYSA-N
EC Number:
276-418-4

Properties

Complexity:
2010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
920.029g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
920.87g/mol
Monoisotopic Mass:
920.029g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
410A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  

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