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1354705-41-1 | 1-tert-butyl-4-iodo-1H-pyrazole
CAS No: 1354705-41-1 Catalog No: AG01A04Q MDL No:MFCD22378621
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
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