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100219-26-9 | 3-Octanone, 4-bromo-2,2-dimethyl-8-phenoxy-
CAS No: 100219-26-9 Catalog No: AG0001A5 MDL No:
Product Description
Catalog Number:
AG0001A5
Chemical Name:
3-Octanone, 4-bromo-2,2-dimethyl-8-phenoxy-
CAS Number:
100219-26-9
Molecular Formula:
C16H23BrO2
Molecular Weight:
327.2566
IUPAC Name:
4-bromo-2,2-dimethyl-8-phenoxyoctan-3-one
InChI:
InChI=1S/C16H23BrO2/c1-16(2,3)15(18)14(17)11-7-8-12-19-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3
InChI Key:
HXKFNDCBWDEXJM-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C(C)(C)C)CCCCOc1ccccc1
Properties
Complexity:
264
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:
4.9
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