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761440-16-8 | 2,5-Dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine
CAS No: 761440-16-8 Catalog No: AG005FFK MDL No:MFCD12827956
Product Description
Catalog Number:
AG005FFK
Chemical Name:
2,5-Dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine
CAS Number:
761440-16-8
Molecular Formula:
C13H13Cl2N3O2S
Molecular Weight:
346.2322
MDL Number:
MFCD12827956
IUPAC Name:
2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
InChI:
InChI=1S/C13H13Cl2N3O2S/c1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)
InChI Key:
WWVLDJAVSQZSKO-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.226g/mol
Monoisotopic Mass:
345.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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