COC1=C(C=CC(=C1)[N+](=O)[O-])OCC2(CC(C2)(F)F)O
名称: 3,3-difluoro-1-[(2-methoxy-4-nitrophenoxy)methyl]cyclobutan-1-ol
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])OCC2(CC(C2)(F)F)O

Molecular Processing

Molecular formula
C12H13F2NO5
Molecular weight
289.23
Exact mass
289.0762
XLogP
2.14
TPSA
81.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.27

Supplementary Information

InChIKey: FYUYMNNFFCNQMR-UHFFFAOYSA-N
同義語
3,3-difluoro-1-((2-methoxy-4-nitrophenoxy)methyl)cyclobutanolSCHEMBL15787453,3-difluoro-1-((2-methoxy-4-nitrophenoxy)methyl)cyclo-butanol
出典を見る →
10 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→