C1=C(C(=CC(=C1N)F)F)C(=O)O
CAS: 639858-45-0
Name: 5-amino-2,4-difluorobenzoic acid
SMILES: C1=C(C(=CC(=C1N)F)F)C(=O)O

Molecular Processing

Molecular formula
C7H5F2NO2
Molecular weight
173.12
Exact mass
173.0288
XLogP
1.25
TPSA
63.32
H-bond donors
2
H-bond acceptors
2
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
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
37.73

Supplementary Information

InChIKey: AMOPVOVLPZDNMD-UHFFFAOYSA-N
Synonyms
5-amino-2,4-difluorobenzoic acid639858-45-0DTXSID30610338RefChem:300929DTXCID30561093MFCD073688485-amino-2,4-difluoro-benzoic acidSCHEMBL604580SCHEMBL302220845-amino-2,4-difluorobenzoicacidAMOPVOVLPZDNMD-UHFFFAOYSA-N2,4-difluoro-5-aminobenzoic acidPAB85845AB6044AKOS009529031EBC-6070795-AMINO-24-DIFLUOROBENZOIC ACIDAC-27446AS-44747DB-332837CS-0109535EN300-42065AB01002289-01F322480F0001-2462Z425453002
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Involved in 6 reactions→

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