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1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methylbenzene

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methylbenzene

CAS: 92814-00-1

Formula: C8H5BrF4

SMILES: CC1=C(F)C(F)=C(CBr)C(F)=C1F

IUPAC: 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methylbenzene

InChI: InChI=1S/C8H5BrF4/c1-3-5(10)7(12)4(2-9)8(13)6(3)11/h2H2,1H3

Composition: C (37.38%), H (1.96%), Br (31.09%), F (29.57%)

Molar Mass: 257.026

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.951076
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey JGBVMYAEIPKDQB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.82
Topological Polar Surface Area 0
Polarizability 16.16
Ring Count 1
Rotatable Bond Count 1

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