Home Other Building Blocks 1H-Pyrazole, 4-iodo-1-(3-oxetanyl)-

1H-Pyrazole, 4-iodo-1-(3-oxetanyl)-

CAS No.:
1314393-99-1
Catalog Number:
AG000W6E
Molecular Formula:
C6H7IN2O
Molecular Weight:
250.0371
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Product Description
Catalog Number:
AG000W6E
Chemical Name:
1H-Pyrazole, 4-iodo-1-(3-oxetanyl)-
CAS Number:
1314393-99-1
Molecular Formula:
C6H7IN2O
Molecular Weight:
250.0371
MDL Number:
MFCD21849013
IUPAC Name:
4-iodo-1-(oxetan-3-yl)pyrazole
InChI:
InChI=1S/C6H7IN2O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4H2
InChI Key:
IOWQPQKVPJLABD-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)C1COC1
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.96g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.039g/mol
Monoisotopic Mass:
249.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties