Home Halogens Dodecanoic acid, 12-bromo-, ethyl ester

Dodecanoic acid, 12-bromo-, ethyl ester

CAS No.:
72338-48-8
Catalog Number:
AG0067FC
Molecular Formula:
C14H27BrO2
Molecular Weight:
307.2670
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Product Description
Catalog Number:
AG0067FC
Chemical Name:
Dodecanoic acid, 12-bromo-, ethyl ester
CAS Number:
72338-48-8
Molecular Formula:
C14H27BrO2
Molecular Weight:
307.2670
MDL Number:
MFCD30470568
IUPAC Name:
ethyl 12-bromododecanoate
InChI:
InChI=1S/C14H27BrO2/c1-2-17-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h2-13H2,1H3
InChI Key:
DYFVMVODIGRODW-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCCC(=O)OCC
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.119g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.272g/mol
Monoisotopic Mass:
306.119g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Properties