2-Methoxy-4-(trifluoromethoxy)benzaldehyde - CAS 886500-13-6

Catalog:	BB039109
Product Name:	2-Methoxy-4-(trifluoromethoxy)benzaldehyde
CAS:	886500-13-6
Synonyms:	2-methoxy-4-(trifluoromethoxy)benzaldehyde; 2-methoxy-4-(trifluoromethoxy)benzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methoxy-4-(trifluoromethoxy)benzaldehyde
Description:	2-Methoxy-4-(trifluoromethoxy)benzaldehyde (CAS# 886500-13-6) is a useful research chemical.
Molecular Weight:	220.15
Molecular Formula:	C9H7F3O3
Canonical SMILES:	COC1=C(C=CC(=C1)OC(F)(F)F)C=O
InChI:	InChI=1S/C9H7F3O3/c1-14-8-4-7(15-9(10,11)12)3-2-6(8)5-13/h2-5H,1H3
InChI Key:	FHNKHGICKRDRLC-UHFFFAOYSA-N
Appearance:	Colorless liquid
MDL:	MFCD04115965
LogP:	2.40630

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Carbonyl Compounds

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.03472857
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.03472857
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9