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5042-33-1

5042-33-1 | Sodium 4-amino-3-nitrobenzenesulfonate

CAS No: 5042-33-1 Catalog No: AG003HSA MDL No:MFCD00070599

Product Description

Catalog Number:
AG003HSA
Chemical Name:
Sodium 4-amino-3-nitrobenzenesulfonate
CAS Number:
5042-33-1
Molecular Formula:
C6H5N2NaO5S
Molecular Weight:
240.1691
MDL Number:
MFCD00070599
IUPAC Name:
sodium;4-amino-3-nitrobenzenesulfonate
InChI:
InChI=1S/C6H6N2O5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1
InChI Key:
SXTOGAIYFMTUAD-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cc(ccc1N)S(=O)(=O)[O-].[Na+]
EC Number:
225-735-6
UNII:
FTC1Q568ZT

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.982g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.165g/mol
Monoisotopic Mass:
239.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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