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539-74-2 | Ethyl 3-bromopropanoate
CAS No: 539-74-2 Catalog No: AG0034UU MDL No:MFCD00000251
Product Description
Catalog Number:
AG0034UU
Chemical Name:
Ethyl 3-bromopropanoate
CAS Number:
539-74-2
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD00000251
IUPAC Name:
ethyl 3-bromopropanoate
InChI:
InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChI Key:
FQTIYMRSUOADDK-UHFFFAOYSA-N
SMILES:
BrCCC(=O)OCC
EC Number:
208-724-0
UNII:
9B28G9S1JV
NSC Number:
21812
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Research on the connections of isoindole derivatives and ethyl esters of formic, acetic and propionic acids. | Acta poloniae pharmaceutica 20040101 |
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