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102294-00-8 | Hexane, 1-bromo-6-(2-propyn-1-yloxy)-
CAS No: 102294-00-8 Catalog No: AG000758 MDL No:
Product Description
Catalog Number:
AG000758
Chemical Name:
Hexane, 1-bromo-6-(2-propyn-1-yloxy)-
CAS Number:
102294-00-8
Molecular Formula:
C9H15BrO
Molecular Weight:
219.1188
IUPAC Name:
1-bromo-6-prop-2-ynoxyhexane
InChI:
InChI=1S/C9H15BrO/c1-2-8-11-9-6-4-3-5-7-10/h1H,3-9H2
InChI Key:
YGROVCQXORGMMC-UHFFFAOYSA-N
SMILES:
BrCCCCCCOCC#C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.122g/mol
Monoisotopic Mass:
218.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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