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1869195-99-2 | 3-(4-iodophenyl)piperazin-2-one
CAS No: 1869195-99-2 Catalog No: AG01DW27 MDL No:MFCD31446540
Product Description
Catalog Number:
AG01DW27
Chemical Name:
3-(4-iodophenyl)piperazin-2-one
CAS Number:
1869195-99-2
Molecular Formula:
C10H11IN2O
Molecular Weight:
302.1116
MDL Number:
MFCD31446540
IUPAC Name:
3-(4-iodophenyl)piperazin-2-one
InChI:
InChI=1S/C10H11IN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChI Key:
FQXYDYZZGPYGBW-UHFFFAOYSA-N
SMILES:
O=C1NCCNC1c1ccc(cc1)I
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.115g/mol
Monoisotopic Mass:
301.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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