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179055-95-9 | Benzonitrile, 3-(1-methyl-1H-pyrazol-5-yl)-
CAS No: 179055-95-9 Catalog No: AG0026R0 MDL No:MFCD09702401
Product Description
Catalog Number:
AG0026R0
Chemical Name:
Benzonitrile, 3-(1-methyl-1H-pyrazol-5-yl)-
CAS Number:
179055-95-9
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD09702401
IUPAC Name:
3-(2-methylpyrazol-3-yl)benzonitrile
InChI:
InChI=1S/C11H9N3/c1-14-11(5-6-13-14)10-4-2-3-9(7-10)8-12/h2-7H,1H3
InChI Key:
NEFOVTAGRMOIIV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccnn1C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/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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