tert-butyl 4-amino-3-fluorobenzoate

tert-butyl 4-amino-3-fluorobenzoate

CAS: 157665-53-7

Formula: C11H14FNO2

SMILES: CC(C)(C)OC(=O)C1=CC=C(N)C(F)=C1

IUPAC: tert-butyl 4-amino-3-fluorobenzoate

InChI: InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)7-4-5-9(13)8(12)6-7/h4-6H,13H2,1-3H3

Composition: C (62.55%), H (6.68%), F (8.99%), N (6.63%), O (15.15%)

Molar Mass: 211.236

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.100856858
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FYHPHTHRJPRDSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.81
Topological Polar Surface Area	52.32
Polarizability	21.11
Ring Count	1
Rotatable Bond Count	3

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