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1823843-24-8 | 2-(4-iodo-5-methyl-1H-pyrazol-1-yl)acetonitrile
CAS No: 1823843-24-8 Catalog No: AG01AON3 MDL No:MFCD28962807
Product Description
Catalog Number:
AG01AON3
Chemical Name:
2-(4-iodo-5-methyl-1H-pyrazol-1-yl)acetonitrile
CAS Number:
1823843-24-8
Molecular Formula:
C6H6IN3
Molecular Weight:
247.0364
MDL Number:
MFCD28962807
IUPAC Name:
2-(4-iodo-5-methylpyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C6H6IN3/c1-5-6(7)4-9-10(5)3-2-8/h4H,3H2,1H3
InChI Key:
FXGMDQHKKSBTIP-UHFFFAOYSA-N
SMILES:
Cc1c(I)cnn1CC#N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.961g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.039g/mol
Monoisotopic Mass:
246.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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