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85135-98-4 | Benzenesulfonic acid,5-amino-2-[(4-aminophenyl)amino]-, sodium salt (1:1)
CAS No: 85135-98-4 Catalog No: AG004NEI MDL No:
Product Description
Catalog Number:
AG004NEI
Chemical Name:
Benzenesulfonic acid,5-amino-2-[(4-aminophenyl)amino]-, sodium salt (1:1)
CAS Number:
85135-98-4
Molecular Formula:
C12H12N3NaO3S
Molecular Weight:
301.2968
IUPAC Name:
sodium;5-amino-2-(4-aminoanilino)benzenesulfonate
InChI:
InChI=1S/C12H13N3O3S.Na/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18;/h1-7,15H,13-14H2,(H,16,17,18);/q;+1/p-1
InChI Key:
BAOTVSQSLNDVSF-UHFFFAOYSA-M
SMILES:
Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N.[Na+]
EC Number:
285-720-5
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.296g/mol
Monoisotopic Mass:
301.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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