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88931-78-6 | 1-Heptanone, 3-butyl-7-iodo-1-phenyl-
CAS No: 88931-78-6 Catalog No: AG0048S5 MDL No:
Product Description
Catalog Number:
AG0048S5
Chemical Name:
1-Heptanone, 3-butyl-7-iodo-1-phenyl-
CAS Number:
88931-78-6
Molecular Formula:
C17H25IO
Molecular Weight:
372.2843
IUPAC Name:
3-butyl-7-iodo-1-phenylheptan-1-one
InChI:
InChI=1S/C17H25IO/c1-2-3-9-15(10-7-8-13-18)14-17(19)16-11-5-4-6-12-16/h4-6,11-12,15H,2-3,7-10,13-14H2,1H3
InChI Key:
MDUSZWBQAZSDHA-UHFFFAOYSA-N
SMILES:
ICCCCC(CC(=O)c1ccccc1)CCCC
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.29g/mol
Monoisotopic Mass:
372.095g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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