Home Other Building Blocks 3-iodo-1-(3,3,3-trifluoropropyl)-1H-pyrazole

3-iodo-1-(3,3,3-trifluoropropyl)-1H-pyrazole

CAS No.:
1506585-16-5
Catalog Number:
AG01B8YI
Molecular Formula:
C6H6F3IN2
Molecular Weight:
290.0249
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Product Description
Catalog Number:
AG01B8YI
Chemical Name:
3-iodo-1-(3,3,3-trifluoropropyl)-1H-pyrazole
CAS Number:
1506585-16-5
Molecular Formula:
C6H6F3IN2
Molecular Weight:
290.0249
MDL Number:
MFCD23768992
IUPAC Name:
3-iodo-1-(3,3,3-trifluoropropyl)pyrazole
InChI:
InChI=1S/C6H6F3IN2/c7-6(8,9)2-4-12-3-1-5(10)11-12/h1,3H,2,4H2
InChI Key:
QGSOQRAZIWIBKD-UHFFFAOYSA-N
SMILES:
FC(CCn1ccc(n1)I)(F)F
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.953g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.028g/mol
Monoisotopic Mass:
289.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties