1-bromo-2-ethoxy-5-fluoro-3-nitrobenzene

1-bromo-2-ethoxy-5-fluoro-3-nitrobenzene

CAS: 1365272-21-4

Formula: C8H7BrFNO3

SMILES: CCOC1=C(Br)C=C(F)C=C1[N+]([O-])=O

IUPAC: 1-bromo-2-ethoxy-5-fluoro-3-nitrobenzene

InChI: InChI=1S/C8H7BrFNO3/c1-2-14-8-6(9)3-5(10)4-7(8)11(12)13/h3-4H,2H2,1H3

Composition: C (36.39%), H (2.67%), Br (30.26%), F (7.19%), N (5.30%), O (18.18%)

Molar Mass: 264.05

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.959334
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NLZIUJOZYZKDDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.43
Topological Polar Surface Area	52.37
Polarizability	19.44
Ring Count	1
Rotatable Bond Count	3

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