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100208-44-4 | 2,7-Naphthalenedisulfonic acid, 5-[(2,3-dichlorocyclopropyl)amino]-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)
CAS No: 100208-44-4 Catalog No: AG00019H MDL No:
Product Description
Catalog Number:
AG00019H
Chemical Name:
2,7-Naphthalenedisulfonic acid, 5-[(2,3-dichlorocyclopropyl)amino]-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)
CAS Number:
100208-44-4
Molecular Formula:
C19H13Cl2N3Na2O7S2
Molecular Weight:
576.3380
IUPAC Name:
disodium;5-[(2,3-dichlorocyclopropyl)amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate
InChI:
InChI=1S/C19H15Cl2N3O7S2.2Na/c20-15-16(21)18(15)22-12-8-11(32(26,27)28)6-9-7-13(33(29,30)31)17(19(25)14(9)12)24-23-10-4-2-1-3-5-10;;/h1-8,15-16,18,22,25H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2
InChI Key:
JMPSXOLMKPTMRU-UHFFFAOYSA-L
SMILES:
ClC1C(C1Cl)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
309-246-6
Properties
Complexity:
915
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.937g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
576.327g/mol
Monoisotopic Mass:
574.937g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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