Home Sulfos 1-[(4-bromo-2-fluorophenyl)sulfonyl]-4-ethylpiperazine

1-[(4-bromo-2-fluorophenyl)sulfonyl]-4-ethylpiperazine

CAS No.:
1331185-87-5
Catalog Number:
AG01DTFJ
Molecular Formula:
C12H16BrFN2O2S
Molecular Weight:
351.2350
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Product Description
Catalog Number:
AG01DTFJ
Chemical Name:
1-[(4-bromo-2-fluorophenyl)sulfonyl]-4-ethylpiperazine
CAS Number:
1331185-87-5
Molecular Formula:
C12H16BrFN2O2S
Molecular Weight:
351.2350
MDL Number:
MFCD20037354
IUPAC Name:
1-(4-bromo-2-fluorophenyl)sulfonyl-4-ethylpiperazine
InChI:
InChI=1S/C12H16BrFN2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8H2,1H3
InChI Key:
DEPKQOVBLYZUJK-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1F)Br
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.01g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.234g/mol
Monoisotopic Mass:
350.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties