CS(=O)(=O)C1=C(C=CC(=C1)C(=O)Cl)C2CCC=C2
Name: 4-cyclopent-2-en-1-yl-3-methylsulfonylbenzoyl chloride
SMILES: CS(=O)(=O)C1=C(C=CC(=C1)C(=O)Cl)C2CCC=C2

Molecular Processing

Molecular formula
C13H13ClO3S
Molecular weight
284.76
Exact mass
284.0274
XLogP
2.9
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
70.85

Supplementary Information

InChIKey: ZPJLQFZBVIVVMH-UHFFFAOYSA-N
Synonyme
SCHEMBL8667613ZPJLQFZBVIVVMH-UHFFFAOYSA-N3-methylsulfonyl-4-(1-cyclopenten-3-yl)-benzoyl chloride
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