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207981-73-5 | 1,2-Propanediol, 3-[(12-bromododecyl)oxy]-, (2S)-
CAS No: 207981-73-5 Catalog No: AG002JE1 MDL No:
Product Description
Catalog Number:
AG002JE1
Chemical Name:
1,2-Propanediol, 3-[(12-bromododecyl)oxy]-, (2S)-
CAS Number:
207981-73-5
Molecular Formula:
C15H31BrO3
Molecular Weight:
339.3088
IUPAC Name:
(2S)-3-(12-bromododecoxy)propane-1,2-diol
InChI:
InChI=1S/C15H31BrO3/c16-11-9-7-5-3-1-2-4-6-8-10-12-19-14-15(18)13-17/h15,17-18H,1-14H2/t15-/m0/s1
InChI Key:
IKEXYQNQCMIKCQ-HNNXBMFYSA-N
SMILES:
BrCCCCCCCCCCCCOC[C@H](CO)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
338.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.314g/mol
Monoisotopic Mass:
338.146g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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