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133080-87-2 | 1-Hexanol, 6-(4-bromophenoxy)-
CAS No: 133080-87-2 Catalog No: AG001483 MDL No:
Product Description
Catalog Number:
AG001483
Chemical Name:
1-Hexanol, 6-(4-bromophenoxy)-
CAS Number:
133080-87-2
Molecular Formula:
C12H17BrO2
Molecular Weight:
273.1662
IUPAC Name:
6-(4-bromophenoxy)hexan-1-ol
InChI:
InChI=1S/C12H17BrO2/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8,14H,1-4,9-10H2
InChI Key:
OTCCUELFRNEZNV-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1ccc(cc1)Br
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.17g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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