CCOC(=O)CC1=C(C=C(C=C1)N)F
CAS: 73781-63-2
Name: ethyl 2-(4-amino-2-fluorophenyl)acetate
SMILES: CCOC(=O)CC1=C(C=C(C=C1)N)F

Molecular Processing

Molecular formula
C10H12FNO2
Molecular weight
197.21
Exact mass
197.0852
XLogP
1.51
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
51.15

Supplementary Information

InChIKey: CKHZQBGGRYVXEB-UHFFFAOYSA-N
Synonyme
Ethyl 2-(4-amino-2-fluorophenyl)acetate73781-63-2MFCD20484495Ethyl (4-amino-2-fluorophenyl)acetateethyl 2-fluoro-4-aminophenylacetateEthyl2-(4-amino-2-fluorophenyl)acetateSCHEMBL4049746DTXSID20578791CKHZQBGGRYVXEB-UHFFFAOYSA-NEthyl(4-amino-2-fluorophenyl)acetateAKOS015999418AS-48661CS-0147827EN300-340675F52303F210320
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