O=S(=O)(Cl)c1cc(Br)cc(C(F)(F)F)c1
名称: 3-bromo-5-trifluoromethyl-benzenesulfonyl chloride
SMILES: O=S(=O)(Cl)c1cc(Br)cc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C7H3BrClF3O2S
Molecular weight
323.52
Exact mass
321.8678
XLogP
3.4
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
52.18

Supplementary Information

詳細情報を取得中…

9 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→