Methyl 4,4,4-Trichlorobutanoate - CAS 19376-57-9

Catalog:	BB015016
Product Name:	Methyl 4,4,4-Trichlorobutanoate
CAS:	19376-57-9
Synonyms:	4,4,4-trichlorobutanoic acid methyl ester; methyl 4,4,4-trichlorobutanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4,4,4-trichlorobutanoate
Description:	Methyl 4,4,4-Trichlorobutanoate (CAS# 19376-57-9) is a useful research chemical.
Molecular Weight:	205.47
Molecular Formula:	C5H7Cl3O2
Canonical SMILES:	COC(=O)CCC(Cl)(Cl)Cl
InChI:	InChI=1S/C5H7Cl3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3
InChI Key:	OTEHQWOCCPLELJ-UHFFFAOYSA-N
Boiling Point:	211.6 °C at 760 mmHg
Density:	1.381 g/cm³
LogP:	2.30980

Publication Number	Title	Priority Date
CN-108250327-B	Functionalized polymer containing silicon and hydroxyl at chain end, preparation method thereof and branched polymer	20161228
CN-108250371-B	Bonding type polymer/silicon dioxide hybrid material and preparation method thereof	20161228
AU-2015266654-A1	Androgen receptor modulators and methods for their use	20140530
CA-2948643-A1	Androgen receptor modulators and methods for their use	20140530
EP-3148970-A1	Androgen receptor modulators and methods for their use	20140530

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Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.951163
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.951163
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6