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219901-56-1 | 1-BUTANONE, 1-(4-IODOPHENYL)-2-PHENYL-
CAS No: 219901-56-1 Catalog No: AG007OIX MDL No:MFCD11545062
Product Description
Catalog Number:
AG007OIX
Chemical Name:
1-BUTANONE, 1-(4-IODOPHENYL)-2-PHENYL-
CAS Number:
219901-56-1
Molecular Formula:
C16H15IO
Molecular Weight:
350.1942
MDL Number:
MFCD11545062
IUPAC Name:
1-(4-iodophenyl)-2-phenylbutan-1-one
InChI:
InChI=1S/C16H15IO/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3
InChI Key:
QTFDWVRCMKYTMQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)I)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.199g/mol
Monoisotopic Mass:
350.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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