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1354705-14-8 | 4-Iodo-1-Methyl-1H-Pyrazole-5-Carbonitrile
CAS No: 1354705-14-8 Catalog No: AG00HU5M MDL No:MFCD24539521
Product Description
Catalog Number:
AG00HU5M
Chemical Name:
4-Iodo-1-Methyl-1H-Pyrazole-5-Carbonitrile
CAS Number:
1354705-14-8
Molecular Formula:
C5H4IN3
Molecular Weight:
233.0098
MDL Number:
MFCD24539521
IUPAC Name:
4-iodo-2-methylpyrazole-3-carbonitrile
InChI:
InChI=1S/C5H4IN3/c1-9-5(2-7)4(6)3-8-9/h3H,1H3
InChI Key:
DMBVBDZEWDWKPQ-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1C#N)I
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.012g/mol
Monoisotopic Mass:
232.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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