Ethyl 2,2-Dibromopropanoate

CAT: 1299-RG-E082556-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E082556-01Size:10 mg

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CAS Number

34757-17-0

Synonyms

Ethyl 2,2-dibromopropanoate

Molecular Formula

C5H8Br2O2

Molecular Weight

259.92

Product Name Synonym

Ethyl 2,2-dibromopropanoate

Chemical Information

Propanoic acid, 2,2-dibromo-, ethyl ester

CAS Number	34757-17-0
PubChem CID	10901348
IUPAC Name	ethyl 2,2-dibromopropanoate
Molecular Formula	C5H8Br2O2
Molecular Weight	259.92
XLogP	2.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	112

SMILES

CCOC(=O)C(C)(Br)Br

InChI

InChI=1S/C5H8Br2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3

InChIKey

DCPDRQNPPXSXIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34757-17-0

CID: 10901348

Formula: C5H8Br2O2

MW: 259.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.92
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	259.88706
Monoisotopic Mass	257.88910
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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