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16631-25-7 | Tetradecanoic acid, 2-bromo-, methyl ester
CAS No: 16631-25-7 Catalog No: AG001WM1 MDL No:MFCD00129744
Product Description
Catalog Number:
AG001WM1
Chemical Name:
Tetradecanoic acid, 2-bromo-, methyl ester
CAS Number:
16631-25-7
Molecular Formula:
C15H29BrO2
Molecular Weight:
321.2936
MDL Number:
MFCD00129744
IUPAC Name:
methyl 2-bromotetradecanoate
InChI:
InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3
InChI Key:
NTDPLPAGWMERRU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(C(=O)OC)Br
EC Number:
240-687-6
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.299g/mol
Monoisotopic Mass:
320.135g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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