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1393442-38-0 | 3-(4-Iodopyrazol-1-yl)piperidine, HCl
CAS No: 1393442-38-0 Catalog No: AG009X75 MDL No:MFCD22383696
Product Description
Catalog Number:
AG009X75
Chemical Name:
3-(4-Iodopyrazol-1-yl)piperidine, HCl
CAS Number:
1393442-38-0
Molecular Formula:
C8H13ClIN3
Molecular Weight:
313.5664
MDL Number:
MFCD22383696
IUPAC Name:
3-(4-iodopyrazol-1-yl)piperidine;hydrochloride
InChI:
InChI=1S/C8H12IN3.ClH/c9-7-4-11-12(6-7)8-2-1-3-10-5-8;/h4,6,8,10H,1-3,5H2;1H
InChI Key:
YEPMTOGKIVQIKO-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)C1CCCNC1.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.567g/mol
Monoisotopic Mass:
312.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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