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Home > Bromides > 1501666-74-5
1501666-74-5 | 1-Bromo-5-fluoro-3-iso-pentyloxybenzene
CAS No: 1501666-74-5 Catalog No: AG01EU81 MDL No:
Product Description
Catalog Number:
AG01EU81
Chemical Name:
1-Bromo-5-fluoro-3-iso-pentyloxybenzene
CAS Number:
1501666-74-5
Molecular Formula:
C11H14BrFO
Molecular Weight:
261.1307
IUPAC Name:
1-bromo-3-fluoro-5-(3-methylbutoxy)benzene
InChI:
InChI=1S/C11H14BrFO/c1-8(2)3-4-14-11-6-9(12)5-10(13)7-11/h5-8H,3-4H2,1-2H3
InChI Key:
VDZYHLASKWMLKB-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(F)cc(c1)Br)C
Properties
Complexity:
163
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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