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85386-98-7 | 1-(3-Iodopyridin-2-yl)piperazine
CAS No: 85386-98-7 Catalog No: AG003CXA MDL No:MFCD04039872
Product Description
Catalog Number:
AG003CXA
Chemical Name:
1-(3-Iodopyridin-2-yl)piperazine
CAS Number:
85386-98-7
Molecular Formula:
C9H12IN3
Molecular Weight:
289.1161
MDL Number:
MFCD04039872
IUPAC Name:
1-(3-iodopyridin-2-yl)piperazine
InChI:
InChI=1S/C9H12IN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChI Key:
YEMFQTAXPFSLAE-UHFFFAOYSA-N
SMILES:
Ic1cccnc1N1CCNCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.12g/mol
Monoisotopic Mass:
289.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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