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2,3-dichloro-6-(trifluoromethyl)benzaldehyde

2,3-dichloro-6-(trifluoromethyl)benzaldehyde

CAS: 186517-27-1

Formula: C8H3Cl2F3O

SMILES: FC(F)(F)C1=CC=C(Cl)C(Cl)=C1C=O

IUPAC: 2,3-dichloro-6-(trifluoromethyl)benzaldehyde

InChI: InChI=1S/C8H3Cl2F3O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-3H

Composition: C (39.54%), H (1.24%), Cl (29.18%), F (23.45%), O (6.58%)

Molar Mass: 243.01

Atom Count: 17

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.9513046
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QCYGNWQELPOXBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.23
Topological Polar Surface Area 17.07
Polarizability 17.51
Ring Count 1
Rotatable Bond Count 2

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