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102294-97-3 | Piperazine, 1-[(4-iodophenyl)methyl]-4-methyl-
CAS No: 102294-97-3 Catalog No: AG000754 MDL No:
Product Description
Catalog Number:
AG000754
Chemical Name:
Piperazine, 1-[(4-iodophenyl)methyl]-4-methyl-
CAS Number:
102294-97-3
Molecular Formula:
C12H17IN2
Molecular Weight:
316.1812
IUPAC Name:
1-[(4-iodophenyl)methyl]-4-methylpiperazine
InChI:
InChI=1S/C12H17IN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3
InChI Key:
PCNZBZUWIDAZHV-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(cc1)I
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.186g/mol
Monoisotopic Mass:
316.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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