CCC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)Br
Name: 2-bromo-4-(4-chlorophenyl)-1-ethylbenzene
SMILES: CCC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)Br

Molecular Processing

Molecular formula
C14H12BrCl
Molecular weight
295.61
Exact mass
293.9811
XLogP
5.33
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
73.97

Supplementary Information

InChIKey: ACKNARLRJANJPF-UHFFFAOYSA-N
Synonyme
SCHEMBL449516ACKNARLRJANJPF-UHFFFAOYSA-N3-Bromo-4'-chloro-4-ethylbiphenyl2-bromo-4-(4-chlorophenyl)-1-ethylbenzene5-(4-chlorophenyl)-2-ethyl-1-bromobenzene
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