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918540-55-3 | 4-(4-iodophenyl)butan-2-one
CAS No: 918540-55-3 Catalog No: AG01BGGJ MDL No:MFCD21243165
Product Description
Catalog Number:
AG01BGGJ
Chemical Name:
4-(4-iodophenyl)butan-2-one
CAS Number:
918540-55-3
Molecular Formula:
C10H11IO
Molecular Weight:
274.0982
MDL Number:
MFCD21243165
IUPAC Name:
4-(4-iodophenyl)butan-2-one
InChI:
InChI=1S/C10H11IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3
InChI Key:
KRODAABNJFTHLD-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc(cc1)I
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.101g/mol
Monoisotopic Mass:
273.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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