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1856581-93-5 | 1-(3-iodo-4-methylphenyl)piperidin-2-one
CAS No: 1856581-93-5 Catalog No: AG01BYXM MDL No:MFCD30196465
Product Description
Catalog Number:
AG01BYXM
Chemical Name:
1-(3-iodo-4-methylphenyl)piperidin-2-one
CAS Number:
1856581-93-5
Molecular Formula:
C12H14INO
Molecular Weight:
315.1501
MDL Number:
MFCD30196465
IUPAC Name:
1-(3-iodo-4-methylphenyl)piperidin-2-one
InChI:
InChI=1S/C12H14INO/c1-9-5-6-10(8-11(9)13)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3
InChI Key:
JQEFDEFQTANKHL-UHFFFAOYSA-N
SMILES:
O=C1CCCCN1c1ccc(c(c1)I)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.154g/mol
Monoisotopic Mass:
315.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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