2-chloro-5-(trifluoromethyl)benzaldehyde

2-chloro-5-(trifluoromethyl)benzaldehyde

CAS: 82386-89-8

Formula: C8H4ClF3O

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

IUPAC: 2-chloro-5-(trifluoromethyl)benzaldehyde

InChI: InChI=1S/C8H4ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H

Composition: C (46.07%), H (1.93%), Cl (17.00%), F (27.33%), O (7.67%)

Molar Mass: 208.56

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.9902769
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OZZOJJJYKYKBNH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.42
Topological Polar Surface Area	17.07
Polarizability	15.47
Ring Count	1
Rotatable Bond Count	2

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