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1170865-71-0 | (4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
CAS No: 1170865-71-0 Catalog No: AG00HDSR MDL No:MFCD12026947
Product Description
Catalog Number:
AG00HDSR
Chemical Name:
(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
CAS Number:
1170865-71-0
Molecular Formula:
C7H8IN3
Molecular Weight:
261.0630
MDL Number:
MFCD12026947
IUPAC Name:
2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C7H8IN3/c1-5-7(8)6(2)11(10-5)4-3-9/h4H2,1-2H3
InChI Key:
DGJVLJHOVDLWGH-UHFFFAOYSA-N
SMILES:
N#CCn1nc(c(c1C)I)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.066g/mol
Monoisotopic Mass:
260.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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