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96530-59-5 | 1-(4-Iodophenyl)piperazine
CAS No: 96530-59-5 Catalog No: AG003CZX MDL No:MFCD03444411
Product Description
Catalog Number:
AG003CZX
Chemical Name:
1-(4-Iodophenyl)piperazine
CAS Number:
96530-59-5
Molecular Formula:
C10H13IN2
Molecular Weight:
288.1281
MDL Number:
MFCD03444411
IUPAC Name:
1-(4-iodophenyl)piperazine
InChI:
InChI=1S/C10H13IN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChI Key:
CFZRRGPCDUOJHX-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)N1CCNCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.132g/mol
Monoisotopic Mass:
288.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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