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129281-18-1 | Octane, 1-bromo-8-(3-buten-1-yloxy)-
CAS No: 129281-18-1 Catalog No: AG000Z1M MDL No:
Product Description
Catalog Number:
AG000Z1M
Chemical Name:
Octane, 1-bromo-8-(3-buten-1-yloxy)-
CAS Number:
129281-18-1
Molecular Formula:
C12H23BrO
Molecular Weight:
263.2144
IUPAC Name:
1-bromo-8-but-3-enoxyoctane
InChI:
InChI=1S/C12H23BrO/c1-2-3-11-14-12-9-7-5-4-6-8-10-13/h2H,1,3-12H2
InChI Key:
VEFPKCAQLLXYII-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCOCCC=C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.219g/mol
Monoisotopic Mass:
262.093g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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