ethyl 4-amino-3-(trifluoromethoxy)benzoate

ethyl 4-amino-3-(trifluoromethoxy)benzoate

CAS: 1260742-02-6

Formula: C10H10F3NO3

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

IUPAC: ethyl 4-amino-3-(trifluoromethoxy)benzoate

InChI: InChI=1S/C10H10F3NO3/c1-2-16-9(15)6-3-4-7(14)8(5-6)17-10(11,12)13/h3-5H,2,14H2,1H3

Composition: C (48.20%), H (4.05%), F (22.87%), N (5.62%), O (19.26%)

Molar Mass: 249.189

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.061277675
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SRDSPOINRBCMRD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.6
Topological Polar Surface Area	61.55
Polarizability	19.79
Ring Count	1
Rotatable Bond Count	5

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