1-bromo-4-fluoro-2-methoxy-5-nitrobenzene

1-bromo-4-fluoro-2-methoxy-5-nitrobenzene

CAS: 935288-20-3

Formula: C7H5BrFNO3

SMILES: COC1=CC(F)=C(C=C1Br)[N+]([O-])=O

IUPAC: 1-bromo-4-fluoro-2-methoxy-5-nitrobenzene

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