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1-bromo-3-fluoro-2-methoxy-5-methylbenzene

1-bromo-3-fluoro-2-methoxy-5-methylbenzene

Formula: C8H8BrFO

SMILES: COC1=C(F)C=C(C)C=C1Br

IUPAC: 1-bromo-3-fluoro-2-methoxy-5-methylbenzene

InChI: InChI=1S/C8H8BrFO/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4H,1-2H3

Composition: C (43.87%), H (3.68%), Br (36.48%), F (8.67%), O (7.30%)

Molar Mass: 219.053

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 217.974256
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RYLULHNQORYBDT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.4
Topological Polar Surface Area 9.23
Polarizability 17.24
Ring Count 1
Rotatable Bond Count 1

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