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116754-58-6 | 1-Tridecanol, 13-bromo-
CAS No: 116754-58-6 Catalog No: AG000D6P MDL No:
Product Description
Catalog Number:
AG000D6P
Chemical Name:
1-Tridecanol, 13-bromo-
CAS Number:
116754-58-6
Molecular Formula:
C13H27BrO
Molecular Weight:
279.2569
IUPAC Name:
13-bromotridecan-1-ol
InChI:
InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
InChI Key:
FJBCXJNCEVECEC-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCBr
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.125g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.262g/mol
Monoisotopic Mass:
278.125g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Selective and irreversible inhibitors of aphid acetylcholinesterases: steps toward human-safe insecticides. | PloS one 20090101 |
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