Methyl 2,3-Dibromopropanoate

CAT: 1299-RG-A260588-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260588-01Size:10 mg

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CAS Number

1729-67-5

Synonyms

Methyl 2,3-Dibromopropanoate

Molecular Formula

C4H6Br2O2

Molecular Weight

245.9

Product Name Synonym

Methyl 2,3-Dibromopropanoate

Chemical Information

Methyl 2,3-dibromopropionate

CAS Number	1729-67-5
PubChem CID	95428
IUPAC Name	methyl 2,3-dibromopropanoate
Molecular Formula	C4H6Br2O2
Molecular Weight	245.90
XLogP	1.7
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

COC(=O)C(CBr)Br

InChI

InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3

InChIKey

ROXQOUUAPQUMLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1729-67-5

CID: 95428

Formula: C4H6Br2O2

MW: 245.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.90
XLogP3	1.7
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
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RG-M052096-01	Methyl 2- (3-Methyl-2-Oxopyrrolidin-1-Yl) Acetate
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