CCOC(=O)CC1=C(C(=C(C=C1)[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)F
CAS: 770718-93-9
Nom: ethyl 2-[3-(3-bromo-5-cyanophenoxy)-2-fluoro-4-nitrophenyl]acetate
SMILES: CCOC(=O)CC1=C(C(=C(C=C1)[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)F

Molecular Processing

Molecular formula
C17H12BrFN2O5
Molecular weight
423.19
Exact mass
421.9914
XLogP
4.27
TPSA
102.46
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
92.32

Supplementary Information

InChIKey: BTHQNRSKIJJTPF-UHFFFAOYSA-N
Synonymes
SCHEMBL5372331BTHQNRSKIJJTPF-UHFFFAOYSA-NDTXSID601176147Ethyl [3-(3-bromo-5-cyanophenoxy)-2-fluoro-4-nitrophenyl]acetateEthyl 3-(3-bromo-5-cyanophenoxy)-2-fluoro-4-nitrobenzeneacetate[3-(3-bromo-5-cyano-phenoxy)-2-fluoro-4-nitro-phenyl]-acetic acid ethyl ester770718-93-9
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→