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123728-78-9 | 1,3-Dioxolane, 4-(bromomethyl)-2-methyl-2-undecyl-
CAS No: 123728-78-9 Catalog No: AG000L08 MDL No:
Product Description
Catalog Number:
AG000L08
Chemical Name:
1,3-Dioxolane, 4-(bromomethyl)-2-methyl-2-undecyl-
CAS Number:
123728-78-9
Molecular Formula:
C16H31BrO2
Molecular Weight:
335.3201
IUPAC Name:
4-(bromomethyl)-2-methyl-2-undecyl-1,3-dioxolane
InChI:
InChI=1S/C16H31BrO2/c1-3-4-5-6-7-8-9-10-11-12-16(2)18-14-15(13-17)19-16/h15H,3-14H2,1-2H3
InChI Key:
RLALEMLBOIIEIU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC1(C)OCC(O1)CBr
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.151g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.326g/mol
Monoisotopic Mass:
334.151g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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