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1170855-52-3 | 3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CAS No: 1170855-52-3 Catalog No: AG009QKA MDL No:MFCD12026948
Product Description
Catalog Number:
AG009QKA
Chemical Name:
3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CAS Number:
1170855-52-3
Molecular Formula:
C8H10IN3
Molecular Weight:
275.0896
MDL Number:
MFCD12026948
IUPAC Name:
3-(4-iodo-3,5-dimethylpyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C8H10IN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3,5H2,1-2H3
InChI Key:
MQWUQDVGKJISJG-UHFFFAOYSA-N
SMILES:
N#CCCn1nc(c(c1C)I)C
Properties
Complexity:
198
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:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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