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80982-86-1 | Tridecanoic acid, 13-bromo-, methyl ester
CAS No: 80982-86-1 Catalog No: AG005HTB MDL No:
Product Description
Catalog Number:
AG005HTB
Chemical Name:
Tridecanoic acid, 13-bromo-, methyl ester
CAS Number:
80982-86-1
Molecular Formula:
C14H27BrO2
Molecular Weight:
307.2670
IUPAC Name:
methyl 13-bromotridecanoate
InChI:
InChI=1S/C14H27BrO2/c1-17-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15/h2-13H2,1H3
InChI Key:
SPDQFFNKPDVVNV-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCCCC(=O)OC
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:
5.7
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