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methyl 3-fluoro-4-formamidobenzoate

methyl 3-fluoro-4-formamidobenzoate

CAS: 1314936-23-6

Formula: C9H8FNO3

SMILES: COC(=O)C1=CC=C(NC=O)C(F)=C1

IUPAC: methyl 3-fluoro-4-formamidobenzoate

InChI: InChI=1S/C9H8FNO3/c1-14-9(13)6-2-3-8(11-5-12)7(10)4-6/h2-5H,1H3,(H,11,12)

Composition: C (54.83%), H (4.09%), F (9.64%), N (7.10%), O (24.34%)

Molar Mass: 197.165

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.048821285
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HECHHBNGQFHWHW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.67
Topological Polar Surface Area 55.4
Polarizability 17.59
Ring Count 1
Rotatable Bond Count 3

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