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Home > Bromides > 1309933-87-6
1309933-87-6 | 1-Bromo-3,5-difluoro-2-n-pentyloxybenzene
CAS No: 1309933-87-6 Catalog No: AG01ES4N MDL No:
Product Description
Catalog Number:
AG01ES4N
Chemical Name:
1-Bromo-3,5-difluoro-2-n-pentyloxybenzene
CAS Number:
1309933-87-6
Molecular Formula:
C11H13BrF2O
Molecular Weight:
279.1211
IUPAC Name:
1-bromo-3,5-difluoro-2-pentoxybenzene
InChI:
InChI=1S/C11H13BrF2O/c1-2-3-4-5-15-11-9(12)6-8(13)7-10(11)14/h6-7H,2-5H2,1H3
InChI Key:
KAHQLFCGEMSNKT-UHFFFAOYSA-N
SMILES:
CCCCCOc1c(F)cc(cc1Br)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.125g/mol
Monoisotopic Mass:
278.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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