Home Other Building Blocks 1-tert-butyl-4-iodo-1H-pyrazole

1-tert-butyl-4-iodo-1H-pyrazole

CAS No.:
1354705-41-1
Catalog Number:
AG01A04Q
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
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Product Description
Catalog Number:
AG01A04Q
Chemical Name:
1-tert-butyl-4-iodo-1H-pyrazole
CAS Number:
1354705-41-1
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
MDL Number:
MFCD22378621
IUPAC Name:
1-tert-butyl-4-iodopyrazole
InChI:
InChI=1S/C7H11IN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3
InChI Key:
ZSBPKSWLKACLRO-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)I)(C)C
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.997g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.083g/mol
Monoisotopic Mass:
249.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties