ethyl 4-amino-2-(trifluoromethyl)benzoate

ethyl 4-amino-2-(trifluoromethyl)benzoate

CAS: 1171245-63-8

Formula: C10H10F3NO2

SMILES: CCOC(=O)C1=CC=C(N)C=C1C(F)(F)F

IUPAC: ethyl 4-amino-2-(trifluoromethyl)benzoate

InChI: InChI=1S/C10H10F3NO2/c1-2-16-9(15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5H,2,14H2,1H3

Composition: C (51.51%), H (4.32%), F (24.44%), N (6.01%), O (13.72%)

Molar Mass: 233.19

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.066363055
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WJUSTBDZBSDNOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.51
Topological Polar Surface Area	52.32
Polarizability	19
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1171245-63-8		$22.70-$58.01$22.70$58.01