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3-amino-5-fluoro-4-methoxybenzoic acid

3-amino-5-fluoro-4-methoxybenzoic acid

CAS: 1340247-99-5

Formula: C8H8FNO3

SMILES: COC1=C(N)C=C(C=C1F)C(O)=O

IUPAC: 3-amino-5-fluoro-4-methoxybenzoic acid

InChI: InChI=1S/C8H8FNO3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)

Composition: C (51.90%), H (4.36%), F (10.26%), N (7.57%), O (25.92%)

Molar Mass: 185.154

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.048821285
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KKYIEDUMWJKBQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.69
Topological Polar Surface Area 72.55
Polarizability 16.15
Ring Count 1
Rotatable Bond Count 2

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