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849035-65-0 | Piperazine,1-[2-chloro-4-methyl-5-(methylsulfonyl)phenyl]-
CAS No: 849035-65-0 Catalog No: AG004M8L MDL No:MFCD04037928
Product Description
Catalog Number:
AG004M8L
Chemical Name:
Piperazine,1-[2-chloro-4-methyl-5-(methylsulfonyl)phenyl]-
CAS Number:
849035-65-0
Molecular Formula:
C12H17ClN2O2S
Molecular Weight:
288.7936
MDL Number:
MFCD04037928
IUPAC Name:
1-(2-chloro-4-methyl-5-methylsulfonylphenyl)piperazine
InChI:
InChI=1S/C12H17ClN2O2S/c1-9-7-10(13)11(8-12(9)18(2,16)17)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3
InChI Key:
IOKUKMHISOHDDU-UHFFFAOYSA-N
SMILES:
Clc1cc(C)c(cc1N1CCNCC1)S(=O)(=O)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.79g/mol
Monoisotopic Mass:
288.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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