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1354704-12-3 | (4-IODO-3-METHYL-PYRAZOL-1-YL)-ACETONITRILE
CAS No: 1354704-12-3 Catalog No: AG01AON4 MDL No:MFCD24539526
Product Description
Catalog Number:
AG01AON4
Chemical Name:
(4-IODO-3-METHYL-PYRAZOL-1-YL)-ACETONITRILE
CAS Number:
1354704-12-3
Molecular Formula:
C6H6IN3
Molecular Weight:
247.0364
MDL Number:
MFCD24539526
IUPAC Name:
2-(4-iodo-3-methylpyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C6H6IN3/c1-5-6(7)4-10(9-5)3-2-8/h4H,3H2,1H3
InChI Key:
AKHJHIQSUJBNQY-UHFFFAOYSA-N
SMILES:
N#CCn1cc(c(n1)C)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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