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16725-35-2 | Hexadecanoic acid, 2-bromo-, methyl ester
CAS No: 16725-35-2 Catalog No: AG001X80 MDL No:
Product Description
Catalog Number:
AG001X80
Chemical Name:
Hexadecanoic acid, 2-bromo-, methyl ester
CAS Number:
16725-35-2
Molecular Formula:
C17H33BrO2
Molecular Weight:
349.3467
IUPAC Name:
methyl 2-bromohexadecanoate
InChI:
InChI=1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h16H,3-15H2,1-2H3
InChI Key:
QTHPWZRRQHIAHV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(C(=O)OC)Br
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:
8.2
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