C1=CC=C(C=C1)S(=O)(=O)CCCCCl
CAS: 33451-35-3
Nom: 4-chlorobutylsulfonylbenzene
SMILES: C1=CC=C(C=C1)S(=O)(=O)CCCCCl

Molecular Processing

Molecular formula
C10H13ClO2S
Molecular weight
232.73
Exact mass
232.0325
XLogP
2.48
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
58.45

Supplementary Information

InChIKey: HOPHRQZFBQDQJY-UHFFFAOYSA-N
Synonymes
((4-chlorobutyl)sulfonyl)benzene33451-35-34-chlorobutylsulfonylbenzene[(4-chlorobutyl)sulfonyl]benzene(4-Chloro-butane-1-sulfonyl)-benzene4-phenylsulfonylbutyl chlorideSCHEMBL4728760DTXSID70499043HOPHRQZFBQDQJY-UHFFFAOYSA-N(4-Chlorobutane-1-sulfonyl)benzeneAKOS011020562DB-013521
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→