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1-bromo-2-(difluoromethoxy)-3,5-difluorobenzene

1-bromo-2-(difluoromethoxy)-3,5-difluorobenzene

CAS: 936249-93-3

Formula: C7H3BrF4O

SMILES: FC(F)OC1=C(Br)C=C(F)C=C1F

IUPAC: 1-bromo-2-(difluoromethoxy)-3,5-difluorobenzene

InChI: InChI=1S/C7H3BrF4O/c8-4-1-3(9)2-5(10)6(4)13-7(11)12/h1-2,7H

Composition: C (32.46%), H (1.17%), Br (30.85%), F (29.34%), O (6.18%)

Molar Mass: 258.998

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.93034
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GNUYUMZDOZCIFV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.59
Topological Polar Surface Area 9.23
Polarizability 15.44
Ring Count 1
Rotatable Bond Count 2

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