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116331-95-4 | Ethanone, 1-[3-bromo-4-[(1-methylheptyl)oxy]phenyl]-
CAS No: 116331-95-4 Catalog No: AG000C8B MDL No:MFCD19497730
Product Description
Catalog Number:
AG000C8B
Chemical Name:
Ethanone, 1-[3-bromo-4-[(1-methylheptyl)oxy]phenyl]-
CAS Number:
116331-95-4
Molecular Formula:
C16H23BrO2
Molecular Weight:
327.2566
MDL Number:
MFCD19497730
IUPAC Name:
1-(3-bromo-4-octan-2-yloxyphenyl)ethanone
InChI:
InChI=1S/C16H23BrO2/c1-4-5-6-7-8-12(2)19-16-10-9-14(13(3)18)11-15(16)17/h9-12H,4-8H2,1-3H3
InChI Key:
BECFMKUPTVLDKK-UHFFFAOYSA-N
SMILES:
CCCCCCC(Oc1ccc(cc1Br)C(=O)C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.262g/mol
Monoisotopic Mass:
326.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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