methyl 2-amino-5-(trifluoromethyl)benzoate

methyl 2-amino-5-(trifluoromethyl)benzoate

CAS: 117324-58-0

Formula: C9H8F3NO2

SMILES: COC(=O)C1=CC(=CC=C1N)C(F)(F)F

IUPAC: methyl 2-amino-5-(trifluoromethyl)benzoate

InChI: InChI=1S/C9H8F3NO2/c1-15-8(14)6-4-5(9(10,11)12)2-3-7(6)13/h2-4H,13H2,1H3

Composition: C (49.32%), H (3.68%), F (26.01%), N (6.39%), O (14.60%)

Molar Mass: 219.163

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.050712991
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QGFUDNJZHZNPCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.76
Topological Polar Surface Area	52.32
Polarizability	17.21
Ring Count	1
Rotatable Bond Count	3

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