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3-chloro-4-(trifluoromethoxy)benzaldehyde

3-chloro-4-(trifluoromethoxy)benzaldehyde

CAS: 83279-39-4

Formula: C8H4ClF3O2

SMILES: FC(F)(F)OC1=CC=C(C=O)C=C1Cl

IUPAC: 3-chloro-4-(trifluoromethoxy)benzaldehyde

InChI: InChI=1S/C8H4ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H

Composition: C (42.79%), H (1.80%), Cl (15.79%), F (25.38%), O (14.25%)

Molar Mass: 224.56

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.9851916
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SDBUQQVMQXOGBO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.52
Topological Polar Surface Area 26.3
Polarizability 16.29
Ring Count 1
Rotatable Bond Count 3

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98% <5 Days 83279-39-4 $12.61-$518.27$12.61$42.87$71.88$150.06$518.27
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