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139060-18-7 | Propanoic acid, 3-(acetyloxy)-2-bromo-2-(bromomethyl)-, ethyl ester
CAS No: 139060-18-7 Catalog No: AG001A4E MDL No:
Product Description
Catalog Number:
AG001A4E
Chemical Name:
Propanoic acid, 3-(acetyloxy)-2-bromo-2-(bromomethyl)-, ethyl ester
CAS Number:
139060-18-7
Molecular Formula:
C8H12Br2O4
Molecular Weight:
331.9865
IUPAC Name:
ethyl 2-(acetyloxymethyl)-2,3-dibromopropanoate
InChI:
InChI=1S/C8H12Br2O4/c1-3-13-7(12)8(10,4-9)5-14-6(2)11/h3-5H2,1-2H3
InChI Key:
OOHFBJPKEZZHCZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(COC(=O)C)(CBr)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.908g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.988g/mol
Monoisotopic Mass:
329.91g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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