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84041-69-0 | 2-Naphthalenecarboxylicacid, 4-[2-(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, manganesesalt (1:?)
CAS No: 84041-69-0 Catalog No: AG004Q3Y MDL No:
Product Description
Catalog Number:
AG004Q3Y
Chemical Name:
2-Naphthalenecarboxylicacid, 4-[2-(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, manganesesalt (1:?)
CAS Number:
84041-69-0
Molecular Formula:
C18H11ClMnN2O6S
Molecular Weight:
473.7458
IUPAC Name:
2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-chloro-4-methylbenzenesulfonate;manganese(2+)
InChI:
InChI=1S/C18H13ClN2O6S.Mn/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2
InChI Key:
LGWHUHPHCCFFFE-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1cc2ccccc2c(c1O)N=Nc1cc(C)c(cc1S(=O)(=O)[O-])Cl.[Mn+2]
EC Number:
281-850-1
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.941g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.742g/mol
Monoisotopic Mass:
472.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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