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113616-57-2 | Hexanoic acid, 5-(acetyloxy)-2,6-dibromo-, methyl ester
CAS No: 113616-57-2 Catalog No: AG000954 MDL No:
Product Description
Catalog Number:
AG000954
Chemical Name:
Hexanoic acid, 5-(acetyloxy)-2,6-dibromo-, methyl ester
CAS Number:
113616-57-2
Molecular Formula:
C9H14Br2O4
Molecular Weight:
346.0131
IUPAC Name:
methyl 5-acetyloxy-2,6-dibromohexanoate
InChI:
InChI=1S/C9H14Br2O4/c1-6(12)15-7(5-10)3-4-8(11)9(13)14-2/h7-8H,3-5H2,1-2H3
InChI Key:
SKENHOPDCQDUJQ-UHFFFAOYSA-N
SMILES:
BrCC(OC(=O)C)CCC(C(=O)OC)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.924g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.015g/mol
Monoisotopic Mass:
343.926g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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