ethyl 3-fluoro-4'-nitro-[1,1'-biphenyl]-4-carboxylate

ethyl 3-fluoro-4'-nitro-[1,1'-biphenyl]-4-carboxylate

CAS: 1365272-65-6

Formula: C15H12FNO4

SMILES: CCOC(=O)C1=CC=C(C=C1F)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: ethyl 3-fluoro-4'-nitro-[1,1'-biphenyl]-4-carboxylate

InChI: InChI=1S/C15H12FNO4/c1-2-21-15(18)13-8-5-11(9-14(13)16)10-3-6-12(7-4-10)17(19)20/h3-9H,2H2,1H3

Composition: C (62.28%), H (4.18%), F (6.57%), N (4.84%), O (22.12%)

Molar Mass: 289.262

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.075036033
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PMRJUSATYALLJX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.51
Topological Polar Surface Area	69.44
Polarizability	29.07
Ring Count	2
Rotatable Bond Count	5

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