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1354705-18-2 | 1-ETHYL-4-IODO-1H-PYRAZOLE-3-CARBONITRILE
CAS No: 1354705-18-2 Catalog No: AG01AON2 MDL No:MFCD24539525
Product Description
Catalog Number:
AG01AON2
Chemical Name:
1-ETHYL-4-IODO-1H-PYRAZOLE-3-CARBONITRILE
CAS Number:
1354705-18-2
Molecular Formula:
C6H6IN3
Molecular Weight:
247.0364
MDL Number:
MFCD24539525
IUPAC Name:
1-ethyl-4-iodopyrazole-3-carbonitrile
InChI:
InChI=1S/C6H6IN3/c1-2-10-4-5(7)6(3-8)9-10/h4H,2H2,1H3
InChI Key:
UGTVECHZGHORFN-UHFFFAOYSA-N
SMILES:
N#Cc1nn(cc1I)CC
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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