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849035-68-3

849035-68-3 | Piperazine,1-[2-chloro-4-(methylsulfonyl)phenyl]-

CAS No: 849035-68-3 Catalog No: AG004VMO MDL No:MFCD04037931

Product Description

Catalog Number:
AG004VMO
Chemical Name:
Piperazine,1-[2-chloro-4-(methylsulfonyl)phenyl]-
CAS Number:
849035-68-3
Molecular Formula:
C11H15ClN2O2S
Molecular Weight:
274.7670
MDL Number:
MFCD04037931
IUPAC Name:
1-(4-chloro-2-methylsulfonylphenyl)piperazine
InChI:
InChI=1S/C11H15ClN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChI Key:
RJEDJYJNERXVNE-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S(=O)(=O)C)N1CCNCC1

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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