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14121-39-2 | Benzenesulfonic acid, 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CAS No: 14121-39-2 Catalog No: AG001G2D MDL No:
Product Description
Catalog Number:
AG001G2D
Chemical Name:
Benzenesulfonic acid, 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CAS Number:
14121-39-2
Molecular Formula:
C9H6Cl2N4O3S
Molecular Weight:
321.1399
IUPAC Name:
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
InChI:
InChI=1S/C9H6Cl2N4O3S/c10-7-13-8(11)15-9(14-7)12-5-2-1-3-6(4-5)19(16,17)18/h1-4H,(H,16,17,18)(H,12,13,14,15)
InChI Key:
SFTJUQRNFXITDQ-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2cccc(c2)S(=O)(=O)O)nc(n1)Cl
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.954g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.132g/mol
Monoisotopic Mass:
319.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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