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6271-23-4 | Ethyl 11-bromoundecanoate
CAS No: 6271-23-4 Catalog No: AG003DUT MDL No:MFCD00045048
Product Description
Catalog Number:
AG003DUT
Chemical Name:
Ethyl 11-bromoundecanoate
CAS Number:
6271-23-4
Molecular Formula:
C13H25BrO2
Molecular Weight:
293.2404
MDL Number:
MFCD00045048
IUPAC Name:
ethyl 11-bromoundecanoate
InChI:
InChI=1S/C13H25BrO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3
InChI Key:
RGWOAXNKJWTDFA-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCC(=O)OCC
NSC Number:
36219
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.245g/mol
Monoisotopic Mass:
292.104g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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