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1823431-57-7 | 5-iodo-1-propyl-1H-pyrazole
CAS No: 1823431-57-7 Catalog No: AG01AOTE MDL No:MFCD28962814
Product Description
Catalog Number:
AG01AOTE
Chemical Name:
5-iodo-1-propyl-1H-pyrazole
CAS Number:
1823431-57-7
Molecular Formula:
C6H9IN2
Molecular Weight:
236.0535
MDL Number:
MFCD28962814
IUPAC Name:
5-iodo-1-propylpyrazole
InChI:
InChI=1S/C6H9IN2/c1-2-5-9-6(7)3-4-8-9/h3-4H,2,5H2,1H3
InChI Key:
KBYCHXCRHMIOTD-UHFFFAOYSA-N
SMILES:
CCCn1nccc1I
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.981g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.056g/mol
Monoisotopic Mass:
235.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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