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26592-28-9 | Benzenesulfonic acid, 2-amino-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-
CAS No: 26592-28-9 Catalog No: AG002TT8 MDL No:
Product Description
Catalog Number:
AG002TT8
Chemical Name:
Benzenesulfonic acid, 2-amino-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-
CAS Number:
26592-28-9
Molecular Formula:
C10H7ClF2N4O3S
Molecular Weight:
336.7024
IUPAC Name:
2-amino-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzenesulfonic acid
InChI:
InChI=1S/C10H7ClF2N4O3S/c11-7-8(12)16-10(13)17-9(7)15-4-1-2-6(5(14)3-4)21(18,19)20/h1-3H,14H2,(H,15,16,17)(H,18,19,20)
InChI Key:
QALUXLMZFUOZTH-UHFFFAOYSA-N
SMILES:
Fc1nc(Nc2ccc(c(c2)N)S(=O)(=O)O)c(c(n1)F)Cl
EC Number:
247-834-3
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.99g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.698g/mol
Monoisotopic Mass:
335.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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