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200295-57-4 | 1,3-Benzenediamine, 4-nitro-, sulfate (1:1)
CAS No: 200295-57-4 Catalog No: AG002CNL MDL No:MFCD08460157
Product Description
Catalog Number:
AG002CNL
Chemical Name:
1,3-Benzenediamine, 4-nitro-, sulfate (1:1)
CAS Number:
200295-57-4
Molecular Formula:
C6H9N3O6S
Molecular Weight:
251.2172
MDL Number:
MFCD08460157
IUPAC Name:
4-nitrobenzene-1,3-diamine;sulfuric acid
InChI:
InChI=1S/C6H7N3O2.H2O4S/c7-4-1-2-6(9(10)11)5(8)3-4;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4)
InChI Key:
STFQGUXLVLJZDB-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Nc1ccc(c(c1)N)[N+](=O)[O-]
EC Number:
606-424-8
UNII:
S9D878Z314
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
251.213g/mol
Monoisotopic Mass:
251.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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