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138107-19-4 | Ethanone, 1-[4-[(6-bromohexyl)oxy]phenyl]-
CAS No: 138107-19-4 Catalog No: AG0017ZV MDL No:
Product Description
Catalog Number:
AG0017ZV
Chemical Name:
Ethanone, 1-[4-[(6-bromohexyl)oxy]phenyl]-
CAS Number:
138107-19-4
Molecular Formula:
C14H19BrO2
Molecular Weight:
299.2035
IUPAC Name:
1-[4-(6-bromohexoxy)phenyl]ethanone
InChI:
InChI=1S/C14H19BrO2/c1-12(16)13-6-8-14(9-7-13)17-11-5-3-2-4-10-15/h6-9H,2-5,10-11H2,1H3
InChI Key:
ZLWGMOVFWZEGOB-UHFFFAOYSA-N
SMILES:
BrCCCCCCOc1ccc(cc1)C(=O)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.208g/mol
Monoisotopic Mass:
298.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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