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3-amino-2,6-difluorobenzoic acid

3-amino-2,6-difluorobenzoic acid

CAS: 83141-11-1

Formula: C7H5F2NO2

SMILES: NC1=C(F)C(C(O)=O)=C(F)C=C1

IUPAC: 3-amino-2,6-difluorobenzoic acid

InChI: InChI=1S/C7H5F2NO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)

Composition: C (48.57%), H (2.91%), F (21.95%), N (8.09%), O (18.48%)

Molar Mass: 173.119

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.028834731
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ORSUTLAFOCNIDY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.45
Topological Polar Surface Area 63.32
Polarizability 13.45
Ring Count 1
Rotatable Bond Count 1

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98% <7 Days 83141-11-1 $6.21-$257.72$6.21$7.25$19.67$33.12$73.49$138.69$257.72
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