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71173-72-3 | disodium 3-[(e)-{3-methoxy-4-[({2-methoxy-5-methyl-4-[(e)-(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl]benzenesulfonate
CAS No: 71173-72-3 Catalog No: AG005KLH MDL No:
Product Description
Catalog Number:
AG005KLH
Chemical Name:
disodium 3-[(e)-{3-methoxy-4-[({2-methoxy-5-methyl-4-[(e)-(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl]benzenesulfonate
CAS Number:
71173-72-3
Molecular Formula:
C28H24N6Na2O9S2
Molecular Weight:
698.6345
IUPAC Name:
bis[4-(dimethylamino)phenyl]methylurea
InChI:
InChI=1S/C18H24N4O/c1-21(2)15-9-5-13(6-10-15)17(20-18(19)23)14-7-11-16(12-8-14)22(3)4/h5-12,17H,1-4H3,(H3,19,20,23)
InChI Key:
FWSHXIWSIVMIHW-UHFFFAOYSA-N
SMILES:
COc1cc(/N=N/c2cccc(c2)S(=O)(=O)[O-])ccc1NC(=O)Nc1cc(C)c(cc1OC)/N=N/c1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
275-250-9
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.195g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.417g/mol
Monoisotopic Mass:
312.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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