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1824600-86-3 | 1-(tert-Butyl)-5-iodo-1H-pyrazole-4-carbonitrile
CAS No: 1824600-86-3 Catalog No: AG00AM1I MDL No:
Product Description
Catalog Number:
AG00AM1I
Chemical Name:
1-(tert-Butyl)-5-iodo-1H-pyrazole-4-carbonitrile
CAS Number:
1824600-86-3
IUPAC Name:
1-tert-butyl-5-iodopyrazole-4-carbonitrile
InChI:
InChI=1S/C8H10IN3/c1-8(2,3)12-7(9)6(4-10)5-11-12/h5H,1-3H3
InChI Key:
VKHOHXCRVCYSOW-UHFFFAOYSA-N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.093g/mol
Monoisotopic Mass:
274.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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