COC(=O)C1=C(C=CC(=C1)N)F
CAS: 56741-34-5
Name: methyl 5-amino-2-fluorobenzoate
SMILES: COC(=O)C1=C(C=CC(=C1)N)F

Molecular Processing

Molecular formula
C8H8FNO2
Molecular weight
169.15
Exact mass
169.0539
XLogP
1.19
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
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
0.125
Molar refractivity
42.15

Supplementary Information

InChIKey: ILVPFTMKCHREDJ-UHFFFAOYSA-N
Synonyme
methyl 5-amino-2-fluorobenzoate56741-34-5DTXSID60575906Benzoic acid, 5-amino-2-fluoro-, methyl esterRefChem:816831DTXCID40526678825-094-8MFCD09037918Methyl 5-amino-2-fluoro-benzoateMethyl 5-amino-2-fluorobenzenecarboxylatemethyl-5-amino-2-fluorobenzoate5-Amino-2-fluorobenzoic acid methyl esterMETHYL5-AMINO-2-FLUOROBENZOATESCHEMBL193418SCHEMBL31633499ILVPFTMKCHREDJ-UHFFFAOYSA-NAKOS000118001BD-0725SY0139435-Amino-2-fluoro-benzoic acid methyl esterCS-0035913EN300-27642F034851Z235344881
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