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86627-02-3 | 4-Pyrimidinamine, 6-chloro-2-(methylsulfonyl)-N-phenyl-
CAS No: 86627-02-3 Catalog No: AG004TYM MDL No:
Product Description
Catalog Number:
AG004TYM
Chemical Name:
4-Pyrimidinamine, 6-chloro-2-(methylsulfonyl)-N-phenyl-
CAS Number:
86627-02-3
Molecular Formula:
C11H10ClN3O2S
Molecular Weight:
283.7340
IUPAC Name:
6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine
InChI:
InChI=1S/C11H10ClN3O2S/c1-18(16,17)11-14-9(12)7-10(15-11)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChI Key:
SWYVAWGNVRPFEE-UHFFFAOYSA-N
SMILES:
Clc1cc(Nc2ccccc2)nc(n1)S(=O)(=O)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.73g/mol
Monoisotopic Mass:
283.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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