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127326-78-7 | 1-Bromo-3-fluoro-4-n-pentyloxybenzene
CAS No: 127326-78-7 Catalog No: AG01ERME MDL No:
Product Description
Catalog Number:
AG01ERME
Chemical Name:
1-Bromo-3-fluoro-4-n-pentyloxybenzene
CAS Number:
127326-78-7
Molecular Formula:
C11H14BrFO
Molecular Weight:
261.1307
IUPAC Name:
4-bromo-2-fluoro-1-pentoxybenzene
InChI:
InChI=1S/C11H14BrFO/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChI Key:
FCYFSULPHRADAI-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1F)Br
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.134g/mol
Monoisotopic Mass:
260.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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