Clc1cc(Br)ccc1SC1CC1
Name: 4-bromo-2-chloro-1-(cyclopropylsulfanyl)benzene
SMILES: Clc1cc(Br)ccc1SC1CC1

Molecular Processing

Molecular formula
C9H8BrClS
Molecular weight
263.59
Exact mass
261.9219
XLogP
4.36
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.03

Supplementary Information

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