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1-bromo-4-fluoro-5-isopropyl-2-methoxybenzene

1-bromo-4-fluoro-5-isopropyl-2-methoxybenzene

CAS: 944317-92-4

Formula: C10H12BrFO

SMILES: COC1=C(Br)C=C(C(C)C)C(F)=C1

IUPAC: 1-bromo-4-fluoro-2-methoxy-5-(propan-2-yl)benzene

InChI: InChI=1S/C10H12BrFO/c1-6(2)7-4-8(11)10(13-3)5-9(7)12/h4-6H,1-3H3

Composition: C (48.61%), H (4.90%), Br (32.34%), F (7.69%), O (6.47%)

Molar Mass: 247.107

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.005556
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CPPYOHQHPFTBON-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.55
Topological Polar Surface Area 9.23
Polarizability 20.84
Ring Count 1
Rotatable Bond Count 2

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