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951892-48-1 | 3,4-Dimethyl-2'-iodobenzophenone
CAS No: 951892-48-1 Catalog No: AG01F00O MDL No:
Product Description
Catalog Number:
AG01F00O
Chemical Name:
3,4-Dimethyl-2'-iodobenzophenone
CAS Number:
951892-48-1
Molecular Formula:
C15H13IO
Molecular Weight:
336.1676
IUPAC Name:
(3,4-dimethylphenyl)-(2-iodophenyl)methanone
InChI:
InChI=1S/C15H13IO/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16/h3-9H,1-2H3
InChI Key:
OTJASIFGSPEEET-UHFFFAOYSA-N
SMILES:
Ic1ccccc1C(=O)c1ccc(c(c1)C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.172g/mol
Monoisotopic Mass:
336.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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