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69563-72-0 | 1,4-Benzenedisulfonic acid, 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]-
CAS No: 69563-72-0 Catalog No: AG005KSJ MDL No:
Product Description
Catalog Number:
AG005KSJ
Chemical Name:
1,4-Benzenedisulfonic acid, 2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]-
CAS Number:
69563-72-0
Molecular Formula:
C9H6F2N4O6S2
Molecular Weight:
368.2939
IUPAC Name:
2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]benzene-1,4-disulfonic acid
InChI:
InChI=1S/C9H6F2N4O6S2/c10-7-13-8(11)15-9(14-7)12-5-3-4(22(16,17)18)1-2-6(5)23(19,20)21/h1-3H,(H,16,17,18)(H,19,20,21)(H,12,13,14,15)
InChI Key:
ORMPQUDKBGDYJH-UHFFFAOYSA-N
SMILES:
Fc1nc(nc(n1)F)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.97g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
368.286g/mol
Monoisotopic Mass:
367.97g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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