1-bromo-2-fluoro-4-methoxy-3-nitrobenzene

1-bromo-2-fluoro-4-methoxy-3-nitrobenzene

CAS: 1352317-80-6

Formula: C7H5BrFNO3

SMILES: COC1=C(C(F)=C(Br)C=C1)[N+]([O-])=O

IUPAC: 1-bromo-2-fluoro-4-methoxy-3-nitrobenzene

InChI: InChI=1S/C7H5BrFNO3/c1-13-5-3-2-4(8)6(9)7(5)10(11)12/h2-3H,1H3

Composition: C (33.63%), H (2.02%), Br (31.96%), F (7.60%), N (5.60%), O (19.20%)

Molar Mass: 250.023

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.943684
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LJJAOMRFFXQENV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.68
Topological Polar Surface Area	52.37
Polarizability	17.67
Ring Count	1
Rotatable Bond Count	2

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