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159832-04-9 | 3-Octanol, 1,2-dibromo-
CAS No: 159832-04-9 Catalog No: AG001RFK MDL No:
Product Description
Catalog Number:
AG001RFK
Chemical Name:
3-Octanol, 1,2-dibromo-
CAS Number:
159832-04-9
Molecular Formula:
C8H16Br2O
Molecular Weight:
288.0200
IUPAC Name:
1,2-dibromooctan-3-ol
InChI:
InChI=1S/C8H16Br2O/c1-2-3-4-5-8(11)7(10)6-9/h7-8,11H,2-6H2,1H3
InChI Key:
JKTJLHOHQLUAGK-UHFFFAOYSA-N
SMILES:
CCCCCC(C(CBr)Br)O
Properties
Complexity:
88.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.023g/mol
Monoisotopic Mass:
285.957g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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