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methyl 3-amino-4-fluoro-1-benzofuran-2-carboxylate

methyl 3-amino-4-fluoro-1-benzofuran-2-carboxylate

CAS: 1822818-28-9

Formula: C10H8FNO3

SMILES: COC(=O)C1=C(N)C2=C(F)C=CC=C2O1

IUPAC: methyl 3-amino-4-fluoro-1-benzofuran-2-carboxylate

InChI: InChI=1S/C10H8FNO3/c1-14-10(13)9-8(12)7-5(11)3-2-4-6(7)15-9/h2-4H,12H2,1H3

Composition: C (57.42%), H (3.86%), F (9.08%), N (6.70%), O (22.95%)

Molar Mass: 209.176

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 209.048821285
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XBZVPFZYCSULSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.72
Topological Polar Surface Area 65.46
Polarizability 19.99
Ring Count 2
Rotatable Bond Count 2

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