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651044-06-3 | 1-Butanone, 2-iodo-3-methyl-1-phenyl-
CAS No: 651044-06-3 Catalog No: AG006SLB MDL No:
Product Description
Catalog Number:
AG006SLB
Chemical Name:
1-Butanone, 2-iodo-3-methyl-1-phenyl-
CAS Number:
651044-06-3
Molecular Formula:
C11H13IO
Molecular Weight:
288.1248
IUPAC Name:
2-iodo-3-methyl-1-phenylbutan-1-one
InChI:
InChI=1S/C11H13IO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChI Key:
QKRVIJZLEKTUSP-UHFFFAOYSA-N
SMILES:
IC(C(=O)c1ccccc1)C(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.128g/mol
Monoisotopic Mass:
288.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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