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86711-82-2 | Propanoic acid, 2-bromo-, tetradecyl ester
CAS No: 86711-82-2 Catalog No: AG004O5M MDL No:
Product Description
Catalog Number:
AG004O5M
Chemical Name:
Propanoic acid, 2-bromo-, tetradecyl ester
CAS Number:
86711-82-2
Molecular Formula:
C17H33BrO2
Molecular Weight:
349.3467
IUPAC Name:
tetradecyl 2-bromopropanoate
InChI:
InChI=1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h16H,3-15H2,1-2H3
InChI Key:
XLNAEONRIMSMIY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)C(Br)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.166g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.353g/mol
Monoisotopic Mass:
348.166g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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