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1020-33-3 | 1,3-Benzenedisulfonamide, 4-amino-6-methyl-
CAS No: 1020-33-3 Catalog No: AG000691 MDL No:
Product Description
Catalog Number:
AG000691
Chemical Name:
1,3-Benzenedisulfonamide, 4-amino-6-methyl-
CAS Number:
1020-33-3
Molecular Formula:
C7H11N3O4S2
Molecular Weight:
265.3099
IUPAC Name:
4-amino-6-methylbenzene-1,3-disulfonamide
InChI:
InChI=1S/C7H11N3O4S2/c1-4-2-5(8)7(16(10,13)14)3-6(4)15(9,11)12/h2-3H,8H2,1H3,(H2,9,11,12)(H2,10,13,14)
InChI Key:
JGFQDYAUPNZBMU-UHFFFAOYSA-N
SMILES:
Cc1cc(N)c(cc1S(=O)(=O)N)S(=O)(=O)N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.302g/mol
Monoisotopic Mass:
265.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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