Methyl 2,3-dibromopropionate

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1. Introduction ofMethyl 2,3-dibromopropionate

The Methyl 2,3-dibromopropionate, with its CAS NO1729-67-5, isa kind of powder. It has synon

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1. Introduction of Methyl 2,3-dibromopropionate

The Methyl 2,3-dibromopropionate, with its CAS NO 1729-67-5, is a kind of powder. It has synonyms of Propionicacid, 2,3-dibromo-, methyl ester (6CI,7CI,8CI);2,3-Dibromopropanoic acid methyl ester;2,3-Dibromopropionic acid methyl ester;Methyl 2,3-dibromopropanoate and Methyl a,b-dibromopropionate.

2. Properties of Methyl 2,3-dibromopropionate

(1) XLogP3-AA 1.7 (2) H-Bond Acceptor 2 (3) Rotatable Bond Count 3
(4) Exact Mass 245.871407 (5) MonoIsotopic Mass 243.873454
(6) Topological Polar Surface Area 26.3 (7) Heavy Atom Count 8 (8) Complexity 84.1
(9) Undefined Atom Stereocenter Count 1 (10) Covalently-Bonded Unit Count 1
(11) Feature 3D Acceptor Count 1 (12) Feature 3D Hydrophobe Count 2
(13) Effective Rotor Count 3 (14) Conformer Sampling RMSD 0.6
(15) CID Conformer Count 18

3. Structure descriptors of Methyl 2,3-dibromopropionate

IUPAC Name: methyl 2,3-dibromopropanoate

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

InChIKey: ROXQOUUAPQUMLN-UHFFFAOYSA-N

Canonical SMILES : COC(=O)C(CBr)Br

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