ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

CAS: 68281-49-2

Formula: C12H12F3NO3

SMILES: CCOC(=O)C1CNC2=C(O1)C=CC(=C2)C(F)(F)F

IUPAC: ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

InChI: InChI=1/C12H12F3NO3/c1-2-18-11(17)10-6-16-8-5-7(12(13,14)15)3-4-9(8)19-10/h3-5,10,16H,2,6H2,1H3

Composition: C (52.37%), H (4.39%), F (20.71%), N (5.09%), O (17.44%)

Molar Mass: 275.227

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	275.076927739
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BNGNTYNJFMUATE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.07
Topological Polar Surface Area	47.56
Polarizability	22.7
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	68281-49-2		$445.05-$1,003.95$445.05$1,003.95