3-nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

3-nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

Formula: C11H7F6NO4

SMILES: CC(C(=O)OC1=CC=CC(=C1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F

IUPAC: 3-nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

InChI: InChI=1S/C11H7F6NO4/c1-9(10(12,13)14,11(15,16)17)8(19)22-7-4-2-3-6(5-7)18(20)21/h2-5H,1H3

Composition: C (39.90%), H (2.13%), F (34.42%), N (4.23%), O (19.32%)

Molar Mass: 331.17

Atom Count: 29

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.027926687
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SZXKKXUSMPSDDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.08
Topological Polar Surface Area	69.44
Polarizability	21.69
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H7F6NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00