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849035-72-9 | Piperazine,1-[4-chloro-2-(methylsulfonyl)phenyl]-
CAS No: 849035-72-9 Catalog No: AG004M8I MDL No:MFCD04037938
Product Description
Catalog Number:
AG004M8I
Chemical Name:
Piperazine,1-[4-chloro-2-(methylsulfonyl)phenyl]-
CAS Number:
849035-72-9
Molecular Formula:
C11H15ClN2O2S
Molecular Weight:
274.7670
MDL Number:
MFCD04037938
IUPAC Name:
1-(2-chloro-4-methylsulfonylphenyl)piperazine
InChI:
InChI=1S/C11H15ClN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChI Key:
WATJCGPNOWITOJ-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1N1CCNCC1)S(=O)(=O)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.763g/mol
Monoisotopic Mass:
274.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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