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1354704-03-2 | 1-ETHYL-4-IODO-1H-PYRAZOLE-5-CARBONITRILE
CAS No: 1354704-03-2 Catalog No: AG01AON0 MDL No:MFCD24539523
Product Description
Catalog Number:
AG01AON0
Chemical Name:
1-ETHYL-4-IODO-1H-PYRAZOLE-5-CARBONITRILE
CAS Number:
1354704-03-2
Molecular Formula:
C6H6IN3
Molecular Weight:
247.0364
MDL Number:
MFCD24539523
IUPAC Name:
2-ethyl-4-iodopyrazole-3-carbonitrile
InChI:
InChI=1S/C6H6IN3/c1-2-10-6(3-8)5(7)4-9-10/h4H,2H2,1H3
InChI Key:
IKGJWCSHOYQQCK-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1C#N)I
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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