2-amino-3-fluoro-4,5-dimethoxybenzamide

2-amino-3-fluoro-4,5-dimethoxybenzamide

CAS: 1314393-22-0

Formula: C9H11FN2O3

SMILES: COC1=CC(C(N)=O)=C(N)C(F)=C1OC

IUPAC: 2-amino-3-fluoro-4,5-dimethoxybenzamide

InChI: InChI=1S/C9H11FN2O3/c1-14-5-3-4(9(12)13)7(11)6(10)8(5)15-2/h3H,11H2,1-2H3,(H2,12,13)

Composition: C (50.47%), H (5.18%), F (8.87%), N (13.08%), O (22.41%)

Molar Mass: 214.196

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.075370385
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NKFOONRRXFWWGL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.98
Topological Polar Surface Area	87.57
Polarizability	19.17
Ring Count	1
Rotatable Bond Count	3

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