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1334500-09-2 | 3-Iodo-1-propyl-1H-pyrazole
CAS No: 1334500-09-2 Catalog No: AG0072MY MDL No:MFCD20231488
Product Description
Catalog Number:
AG0072MY
Chemical Name:
3-Iodo-1-propyl-1H-pyrazole
CAS Number:
1334500-09-2
Molecular Formula:
C6H9IN2
Molecular Weight:
236.0535
MDL Number:
MFCD20231488
IUPAC Name:
3-iodo-1-propylpyrazole
InChI:
InChI=1S/C6H9IN2/c1-2-4-9-5-3-6(7)8-9/h3,5H,2,4H2,1H3
InChI Key:
GKECSHRUAMABEX-UHFFFAOYSA-N
SMILES:
CCCn1ccc(n1)I
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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