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84029-49-2 | Benzenesulfonic acid, 4-[(3-aminobenzoyl)amino]-, sodiumsalt (1:1)
CAS No: 84029-49-2 Catalog No: AG004QF9 MDL No:
Product Description
Catalog Number:
AG004QF9
Chemical Name:
Benzenesulfonic acid, 4-[(3-aminobenzoyl)amino]-, sodiumsalt (1:1)
CAS Number:
84029-49-2
Molecular Formula:
C13H11N2NaO4S
Molecular Weight:
314.2922
IUPAC Name:
sodium;4-[(3-aminobenzoyl)amino]benzenesulfonate
InChI:
InChI=1S/C13H12N2O4S.Na/c14-10-3-1-2-9(8-10)13(16)15-11-4-6-12(7-5-11)20(17,18)19;/h1-8H,14H2,(H,15,16)(H,17,18,19);/q;+1/p-1
InChI Key:
UTCOEJNQMPBYKD-UHFFFAOYSA-M
SMILES:
Nc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)[O-].[Na+]
EC Number:
281-722-5
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.291g/mol
Monoisotopic Mass:
314.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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