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116-48-3 | Methanesulfonic acid, 1-[[(4-aminophenyl)sulfonyl]amino]-
CAS No: 116-48-3 Catalog No: AG000BCM MDL No:
Product Description
Catalog Number:
AG000BCM
Chemical Name:
Methanesulfonic acid, 1-[[(4-aminophenyl)sulfonyl]amino]-
CAS Number:
116-48-3
Molecular Formula:
C7H10N2O5S2
Molecular Weight:
266.2947
IUPAC Name:
[(4-aminophenyl)sulfonylamino]methanesulfonic acid
InChI:
InChI=1S/C7H10N2O5S2/c8-6-1-3-7(4-2-6)16(13,14)9-5-15(10,11)12/h1-4,9H,5,8H2,(H,10,11,12)
InChI Key:
HTZGWONWPJNYOM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)NCS(=O)(=O)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.286g/mol
Monoisotopic Mass:
266.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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