1,2-dibromoethyl acetate

CAT: 1596-AR-T01794-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T01794-01Size:10 Units

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CAS Number

24442-57-7

Synonyms

1,2-dibromoethyl acetate

Molecular Formula

C4H6Br2O2

Molecular Weight

245.9

API Name

Theophylline

Chemical Information

Ethanol, 1,2-dibromo-, 1-acetate

CAS Number	24442-57-7
PubChem CID	32381
IUPAC Name	1,2-dibromoethyl acetate
Molecular Formula	C4H6Br2O2
Molecular Weight	245.90
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	84

SMILES

CC(=O)OC(CBr)Br

InChI

InChI=1S/C4H6Br2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3

InChIKey

UXPDRIMBYCEVCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24442-57-7

CID: 32381

Formula: C4H6Br2O2

MW: 245.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.90
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	245.87141
Monoisotopic Mass	243.87345
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-V01838-01	4-chloro-6- (1,1-dibromoethyl) -5-fluoropyrimidine
AR-E10612-01	1,2-Dichloroethyl Acetate
AR-A05380-01	1-Chloro-2-Buten-1-Ol-1-Acetate
AR-F10559-01	2-Bromoethyl Acetate
AR-M03178-01	2-Ethylhexyl Acetate
AR-V06009-01	(S) -2- (2-Cyanopyrrolidin-1-yl) -2-oxoethyl Acetate
AR-A05408-01	1-Chloroethyl Acetate
AR-E10620-01	1-Methoxyethyl Acetate
AR-T01793-01	1-bromoethyl acetate
AR-C02081-01	Sodium 2- (1H-tetrazol-1-yl) acetate

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