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313350-82-2

313350-82-2 | 4-Iodo-1-isopropyl-1H-pyrazole

CAS No: 313350-82-2 Catalog No: AG003LK5 MDL No:MFCD11867882

Product Description

Catalog Number:
AG003LK5
Chemical Name:
4-Iodo-1-isopropyl-1H-pyrazole
CAS Number:
313350-82-2
Molecular Formula:
C6H9IN2
Molecular Weight:
236.0535
MDL Number:
MFCD11867882
IUPAC Name:
4-iodo-1-propan-2-ylpyrazole
InChI:
InChI=1S/C6H9IN2/c1-5(2)9-4-6(7)3-8-9/h3-5H,1-2H3
InChI Key:
CFXNVDUEBJYAAZ-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)I)C

Properties

Complexity:
95.1  
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:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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