COC1=C(C=CC(=C1)F)C#N
CAS: 191014-55-8
名称: 4-fluoro-2-methoxybenzonitrile
SMILES: COC1=C(C=CC(=C1)F)C#N

Molecular Processing

Molecular formula
C8H6FNO
Molecular weight
151.14
Exact mass
151.0433
XLogP
1.71
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
37.67

Supplementary Information

InChIKey: HGBKZVIQHCUHRI-UHFFFAOYSA-N
同義語
4-Fluoro-2-methoxybenzonitrile191014-55-8DTXSID90382584RefChem:292777DTXCID60333609642-486-2Benzonitrile, 4-fluoro-2-methoxy-MFCD041163354-fluoro-2-methoxybenzenecarbonitrile2-methoxy-4-fluorobenzonitrile4-fluoro-2-methoxy-benzonitrileSCHEMBL5512934Fluoro-2-methoxy-benzonitrileHGBKZVIQHCUHRI-UHFFFAOYSA-NCK1051SBB063923AKOS005255777AC-4077CS-W014294FS-1328SY022697DB-006804ST51041798EN300-201539F013332Z1201622932
出典を見る →
47 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→