1,2-Dibromoethyl Acetate - CAS 24442-57-7

Catalog:	BB018484
Product Name:	1,2-Dibromoethyl Acetate
CAS:	24442-57-7
Synonyms:	acetic acid 1,2-dibromoethyl ester; 1,2-dibromoethyl acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2-dibromoethyl acetate
Description:	1,2-Dibromoethyl Acetate (CAS# 24442-57-7) is a useful research chemical compound.
Molecular Weight:	245.90
Molecular Formula:	C4H6Br2O2
Canonical SMILES:	CC(=O)OC(CBr)Br
InChI:	InChI=1S/C4H6Br2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3
InChI Key:	UXPDRIMBYCEVCO-UHFFFAOYSA-N
Boiling Point:	231.5 °C at 760 mmHg
Density:	1.97 g/cm³
MDL:	MFCD08457744
LogP:	1.66540

Publication Number	Title	Priority Date
CN-104592249-A	Low-cost simple method for preparing clopidogrel free alkali	20150115
AU-2014203521-A1	New pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them	20130723
AU-2014203521-B2	New pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them	20130723
BR-102014017950-A2	pyrrol compounds, a process for their preparation and pharmaceutical compositions containing the same	20130723
BR-102014017950-B1	pyrrole compounds, process for their preparation, pharmaceutical compositions containing them, their uses and associations	20130723

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Complexity:	84.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.87141
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.87345
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8