3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde

3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde

CAS: 138490-96-7

Formula: C10H9F3O3

SMILES: COC1=CC=C(C=O)C(=C1OC)C(F)(F)F

IUPAC: 3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde

InChI: InChI=1S/C10H9F3O3/c1-15-7-4-3-6(5-14)8(9(7)16-2)10(11,12)13/h3-5H,1-2H3

Composition: C (51.29%), H (3.87%), F (24.34%), O (20.50%)

Molar Mass: 234.174

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.050378639
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RVBGIIWJLAXZGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.54
Topological Polar Surface Area	35.53
Polarizability	18.59
Ring Count	1
Rotatable Bond Count	4

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