Home Other Building Blocks 4-Iodo-3,5-bis-(trifluoromethyl)-1H-pyrazole

4-Iodo-3,5-bis-(trifluoromethyl)-1H-pyrazole

CAS No.:
1239511-06-8
Catalog Number:
AG00AA37
Molecular Formula:
C5HF6IN2
Molecular Weight:
329.9697
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Product Description
Catalog Number:
AG00AA37
Chemical Name:
4-Iodo-3,5-bis-(trifluoromethyl)-1H-pyrazole
CAS Number:
1239511-06-8
Molecular Formula:
C5HF6IN2
Molecular Weight:
329.9697
MDL Number:
MFCD11867872
IUPAC Name:
4-iodo-3,5-bis(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C5HF6IN2/c6-4(7,8)2-1(12)3(14-13-2)5(9,10)11/h(H,13,14)
InChI Key:
OTYORVJCWWESOF-UHFFFAOYSA-N
SMILES:
Ic1c([nH]nc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.909g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.972g/mol
Monoisotopic Mass:
329.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties