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16331-21-8 | Octacosane, 1-bromo-
CAS No: 16331-21-8 Catalog No: AG001U17 MDL No:
Product Description
Catalog Number:
AG001U17
Chemical Name:
Octacosane, 1-bromo-
CAS Number:
16331-21-8
Molecular Formula:
C28H57Br
Molecular Weight:
473.6562
IUPAC Name:
1-bromooctacosane
InChI:
InChI=1S/C28H57Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h2-28H2,1H3
InChI Key:
DIGPMZDZIQAPIL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
NSC Number:
53830
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.364g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.668g/mol
Monoisotopic Mass:
472.364g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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