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Home > Bromides > 1041532-51-7
1041532-51-7 | 1-Bromo-5-fluoro-2-iso-pentyloxybenzene
CAS No: 1041532-51-7 Catalog No: AG01EQNJ MDL No:
Product Description
Catalog Number:
AG01EQNJ
Chemical Name:
1-Bromo-5-fluoro-2-iso-pentyloxybenzene
CAS Number:
1041532-51-7
Molecular Formula:
C11H14BrFO
Molecular Weight:
261.1307
IUPAC Name:
2-bromo-4-fluoro-1-(3-methylbutoxy)benzene
InChI:
InChI=1S/C11H14BrFO/c1-8(2)5-6-14-11-4-3-9(13)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
HOWKPYJVGPVZMB-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1Br)F)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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