CC(=O)C1=C(C(=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F
CAS: 861841-93-2
名称: (2-acetyl-6-nitro-4-phenylmethoxyphenyl) trifluoromethanesulfonate
SMILES: CC(=O)C1=C(C(=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C16H12F3NO7S
Molecular weight
419.33
Exact mass
419.0287
XLogP
3.6
TPSA
112.81
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
89.48

Supplementary Information

InChIKey: YRKPFQXLKGLYKA-UHFFFAOYSA-N
同義語
2-acetyl-4-benzyloxy-6-nitrophenyl trifluoromethanesulfonateSCHEMBL631331DB-4090212-acetyl-4-(benzyloxy)-6-nitrophenyl trifluoromethanesulfonate2-acetyl-4-benzyloxy-6-nitro-phenyl trifluoromethanesulphonate861841-93-2
出典を見る →
6 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→