C(C(=O)C1=C(SC(=C1Cl)Cl)Br)Cl
Name: 1-(2-bromo-4,5-dichlorothiophen-3-yl)-2-chloroethanone
SMILES: C(C(=O)C1=C(SC(=C1Cl)Cl)Br)Cl

Molecular Processing

Molecular formula
C6H2BrCl3OS
Molecular weight
308.41
Exact mass
305.8075
XLogP
4.24
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
57.09

Supplementary Information

InChIKey: MMPGUTMCAGDIPN-UHFFFAOYSA-N
Synonyme
Chloromethyl Thienyl Ketone deriv. 5BDBM7857CHEMBL143273SCHEMBL6785018MMPGUTMCAGDIPN-UHFFFAOYSA-N1-(2-Bromo-4,5-dichloro-thiophen-3-yl)-2-chloro-ethanone1-(2-bromo-4,5-dichlorothiophen-3-yl)-2-chloroethan-1-one
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