1-(5-bromo-2-fluoro-4-methanesulfonylphenyl)piperazine

1-(5-bromo-2-fluoro-4-methanesulfonylphenyl)piperazine

CAS: 1020722-16-0

Formula: C11H14BrFN2O2S

SMILES: CS(=O)(=O)C1=C(Br)C=C(N2CCNCC2)C(F)=C1

IUPAC: 1-(5-bromo-2-fluoro-4-methanesulfonylphenyl)piperazine

InChI: InChI=1S/C11H14BrFN2O2S/c1-18(16,17)11-7-9(13)10(6-8(11)12)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3

Composition: C (39.18%), H (4.18%), Br (23.70%), F (5.63%), N (8.31%), O (9.49%), S (9.51%)

Molar Mass: 337.21

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	335.99434
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AAAWDEUPFZPDLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.08
Topological Polar Surface Area	49.41
Polarizability	28.28
Ring Count	2
Rotatable Bond Count	2

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