methyl 2-fluoro-4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate

methyl 2-fluoro-4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate

CAS: 1802242-47-2

Formula: C13H16FNO4

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

IUPAC: methyl 2-fluoro-4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]benzoate

InChI: InChI=1S/C13H16FNO4/c1-13(2,12(17)19-4)15-8-5-6-9(10(14)7-8)11(16)18-3/h5-7,15H,1-4H3

Composition: C (57.99%), H (5.99%), F (7.06%), N (5.20%), O (23.77%)

Molar Mass: 269.272

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.106336162
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IDAJNIOTTOAHJF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.55
Topological Polar Surface Area	64.63
Polarizability	25.63
Ring Count	1
Rotatable Bond Count	6

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