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20206-80-8 | 2-Pentanone, 5-(acetyloxy)-1-bromo-
CAS No: 20206-80-8 Catalog No: AG00280I MDL No:
Product Description
Catalog Number:
AG00280I
Chemical Name:
2-Pentanone, 5-(acetyloxy)-1-bromo-
CAS Number:
20206-80-8
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
IUPAC Name:
(5-bromo-4-oxopentyl) acetate
InChI:
InChI=1S/C7H11BrO3/c1-6(9)11-4-2-3-7(10)5-8/h2-5H2,1H3
InChI Key:
AVKQWZGKSJQEAN-UHFFFAOYSA-N
SMILES:
BrCC(=O)CCCOC(=O)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.066g/mol
Monoisotopic Mass:
221.989g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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