CC1(CCOCC1)C2=CC=C(C=C2)S(=O)(=O)Cl
CAS: 870532-75-5
Name: 4-(4-methyloxan-4-yl)benzenesulfonyl chloride
SMILES: CC1(CCOCC1)C2=CC=C(C=C2)S(=O)(=O)Cl

Molecular Processing

Molecular formula
C12H15ClO3S
Molecular weight
274.77
Exact mass
274.043
XLogP
2.68
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.89

Supplementary Information

InChIKey: JWCICPFWJAWGRW-UHFFFAOYSA-N
Synonyme
SCHEMBL342941JWCICPFWJAWGRW-UHFFFAOYSA-NDB-3799714-(4-Methyl-tetrahydro-pyran-4-yl)-benzenesulfonyl Chloride4-(Tetrahydro-4-methyl-2H-pyran-4-yl)benzenesulfonyl chloride870532-75-5
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