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2,3-difluoro-1-methyl-4-(trifluoromethyl)benzene

2,3-difluoro-1-methyl-4-(trifluoromethyl)benzene

CAS: 1099597-66-6

Formula: C8H5F5

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

IUPAC: 2,3-difluoro-1-methyl-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H5F5/c1-4-2-3-5(8(11,12)13)7(10)6(4)9/h2-3H,1H3

Composition: C (48.99%), H (2.57%), F (48.44%)

Molar Mass: 196.12

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.031140976
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey FMCHYRFKNBELEA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.51
Topological Polar Surface Area 0
Polarizability 13.06
Ring Count 1
Rotatable Bond Count 1

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