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951888-96-3 | 4-n-Butyl-4'-iodobenzophenone
CAS No: 951888-96-3 Catalog No: AG01EZSW MDL No:
Product Description
Catalog Number:
AG01EZSW
Chemical Name:
4-n-Butyl-4'-iodobenzophenone
CAS Number:
951888-96-3
Molecular Formula:
C17H17IO
Molecular Weight:
364.2208
IUPAC Name:
(4-butylphenyl)-(4-iodophenyl)methanone
InChI:
InChI=1S/C17H17IO/c1-2-3-4-13-5-7-14(8-6-13)17(19)15-9-11-16(18)12-10-15/h5-12H,2-4H2,1H3
InChI Key:
PLRAXGLEEUHGCX-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1ccc(cc1)I
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.226g/mol
Monoisotopic Mass:
364.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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