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73525-13-0 | Benzenesulfonic acid,2-amino-5-[(3-aminobenzoyl)amino]-
CAS No: 73525-13-0 Catalog No: AG005NBB MDL No:
Product Description
Catalog Number:
AG005NBB
Chemical Name:
Benzenesulfonic acid,2-amino-5-[(3-aminobenzoyl)amino]-
CAS Number:
73525-13-0
Molecular Formula:
C13H13N3O4S
Molecular Weight:
307.3250
IUPAC Name:
2-amino-5-[(3-aminobenzoyl)amino]benzenesulfonic acid
InChI:
InChI=1S/C13H13N3O4S/c14-9-3-1-2-8(6-9)13(17)16-10-4-5-11(15)12(7-10)21(18,19)20/h1-7H,14-15H2,(H,16,17)(H,18,19,20)
InChI Key:
MGDIZTOOMTZXQA-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)Nc1ccc(c(c1)S(=O)(=O)O)N
EC Number:
277-525-9
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
307.324g/mol
Monoisotopic Mass:
307.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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