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132284-41-4 | Dodecanoic acid, 2-bromo-12-oxo-, methyl ester
CAS No: 132284-41-4 Catalog No: AG0010H5 MDL No:
Product Description
Catalog Number:
AG0010H5
Chemical Name:
Dodecanoic acid, 2-bromo-12-oxo-, methyl ester
CAS Number:
132284-41-4
Molecular Formula:
C13H23BrO3
Molecular Weight:
307.2239
IUPAC Name:
methyl 2-bromo-12-oxododecanoate
InChI:
InChI=1S/C13H23BrO3/c1-17-13(16)12(14)10-8-6-4-2-3-5-7-9-11-15/h11-12H,2-10H2,1H3
InChI Key:
IBOJJFKRWIYWSE-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCCC(C(=O)OC)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.228g/mol
Monoisotopic Mass:
306.083g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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