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851436-85-6 | 1-Bromo-3-n-octyloxybenzene
CAS No: 851436-85-6 Catalog No: AG01EXS5 MDL No:
Product Description
Catalog Number:
AG01EXS5
Chemical Name:
1-Bromo-3-n-octyloxybenzene
CAS Number:
851436-85-6
Molecular Formula:
C14H21BrO
Molecular Weight:
285.2199
IUPAC Name:
1-bromo-3-octoxybenzene
InChI:
InChI=1S/C14H21BrO/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(15)12-14/h8-10,12H,2-7,11H2,1H3
InChI Key:
KSOKLYDSCBZFBE-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cccc(c1)Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.225g/mol
Monoisotopic Mass:
284.078g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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