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Ethyl 4-Chloro-alpha,alpha-difluorophenylacetate

Ethyl 4-Chloro-alpha,alpha-difluorophenylacetate - CAS 130754-19-7

Catalog:	BB007166
Product Name:	Ethyl 4-Chloro-alpha,alpha-difluorophenylacetate
CAS:	130754-19-7
Synonyms:	2-(4-chlorophenyl)-2,2-difluoroacetic acid ethyl ester; ethyl 2-(4-chlorophenyl)-2,2-difluoroacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(4-chlorophenyl)-2,2-difluoroacetate
Description:	Ethyl 4-Chloro-alpha,alpha-difluorophenylacetate (CAS# 130754-19-7) is a useful research chemical.
Molecular Weight:	234.63
Molecular Formula:	C10H9ClF2O2
Canonical SMILES:	CCOC(=O)C(C1=CC=C(C=C1)Cl)(F)F
InChI:	InChI=1S/C10H9ClF2O2/c1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChI Key:	VGULHXRXMXNYHN-UHFFFAOYSA-N
LogP:	2.99490

Publication Number	Title	Priority Date
US-2019322676-A1	Ceramide galactosyltransferase inhibitors for the treatment of disease	20161220
WO-2018118838-A1	Ceramide galactosyltransferase inhibitors for the treatment of disease	20161220
DK-3194403-T3	PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS	20140915
EP-3194403-B1	Pyrrolopyrimidine derivatives as nr2b nmda receptor antagonists	20140915
JP-2017526724-A	Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists	20140915

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.0259135
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.0259135
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4