3-Methoxy-4-(trifluoromethyl)benzaldehyde - CAS 945003-38-3

Catalog:	BB041392
Product Name:	3-Methoxy-4-(trifluoromethyl)benzaldehyde
CAS:	945003-38-3
Synonyms:	3-methoxy-4-(trifluoromethyl)benzaldehyde; 3-methoxy-4-(trifluoromethyl)benzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methoxy-4-(trifluoromethyl)benzaldehyde
Description:	3-Methoxy-4-(trifluoromethyl)benzaldehyde (CAS# 945003-38-3) is a useful reactant for the preparation of 2-methoxyacylhydrazones as selective PDE10A inhibitors.
Molecular Weight:	204.15
Molecular Formula:	C9H7F3O2
Canonical SMILES:	COC1=C(C=CC(=C1)C=O)C(F)(F)F
InChI:	InChI=1S/C9H7F3O2/c1-14-8-4-6(5-13)2-3-7(8)9(10,11)12/h2-5H,1H3
InChI Key:	XIRCMFYUQKUYJZ-UHFFFAOYSA-N
MDL:	MFCD11110997
LogP:	2.52650

Publication Number	Title	Priority Date
WO-2020148354-A1	Substituted chromen-4-one for the treatment and prophylaxis of hepatitis b virus infection	20190117
CN-113301959-A	Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection	20190117
WO-2020012423-A1	Thiadiazine derivatives	20180713
EP-3820865-A1	Thiadiazine derivatives	20180713
US-2018170942-A1	Polycyclic derivatives targeting ral gtpases and their therapeutical applications	20150616

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Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.03981395
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.03981395
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2