Name: 2-(1-chloroethyl)-1-benzothiophene
SMILES:
CC(C1=CC2=CC=CC=C2S1)ClMolecular Processing
Molecular formula
C10H9ClS
Molecular weight
196.7
Exact mass
196.0113
XLogP
4.2
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.09
Supplementary Information
InChIKey: ICPDAWGUSUUMOO-UHFFFAOYSA-N
Synonyme
SCHEMBL2161082ICPDAWGUSUUMOO-UHFFFAOYSA-N2-(1-chloroethyl)benzo[b]thiophene
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