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1229457-94-6 | 4-(4-iodo-pyrazol-1-yl)piperidine
CAS No: 1229457-94-6 Catalog No: AG009XZT MDL No:MFCD16622252
Product Description
Catalog Number:
AG009XZT
Chemical Name:
4-(4-iodo-pyrazol-1-yl)piperidine
CAS Number:
1229457-94-6
Molecular Formula:
C8H12IN3
Molecular Weight:
277.1055
MDL Number:
MFCD16622252
IUPAC Name:
4-(4-iodopyrazol-1-yl)piperidine
InChI:
InChI=1S/C8H12IN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2
InChI Key:
GYYVRUODGBPRHC-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)C1CCNCC1
EC Number:
639-824-6
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.109g/mol
Monoisotopic Mass:
277.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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