200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1325-16-2
1325-16-2 | Benzoic acid, 2-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-, barium salt (1:2)
CAS No: 1325-16-2 Catalog No: AG0010RQ MDL No:
Product Description
Catalog Number:
AG0010RQ
Chemical Name:
Benzoic acid, 2-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-, barium salt (1:2)
CAS Number:
1325-16-2
Molecular Formula:
C17H11Ba2N2O9S2+++
Molecular Weight:
726.0612
IUPAC Name:
barium(2+);2-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]benzoate
InChI:
InChI=1S/C17H12N2O9S2.2Ba/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;/q;2*+2/p-4
InChI Key:
YHTMVIZFYXXBEW-UHFFFAOYSA-J
SMILES:
Oc1c(N=Nc2ccccc2C(=O)[O-])c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Ba+2].[Ba+2]
EC Number:
215-388-9
UNII:
I45XGB24AV
Properties
Complexity:
846
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
723.778g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
723.03g/mol
Monoisotopic Mass:
723.778g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.