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951887-57-3 | 4-Iodo-4'-n-pentylbenzophenone
CAS No: 951887-57-3 Catalog No: AG01EZQS MDL No:
Product Description
Catalog Number:
AG01EZQS
Chemical Name:
4-Iodo-4'-n-pentylbenzophenone
CAS Number:
951887-57-3
Molecular Formula:
C18H19IO
Molecular Weight:
378.2473
IUPAC Name:
(4-iodophenyl)-(4-pentylphenyl)methanone
InChI:
InChI=1S/C18H19IO/c1-2-3-4-5-14-6-8-15(9-7-14)18(20)16-10-12-17(19)13-11-16/h6-13H,2-5H2,1H3
InChI Key:
GCQDCVBJLDQYRV-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1ccc(cc1)I
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.253g/mol
Monoisotopic Mass:
378.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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