Home Nitriles 4-(4-methyl-1H-pyrazol-1-yl)benzonitrile

4-(4-methyl-1H-pyrazol-1-yl)benzonitrile

CAS No.:
873009-49-5
Catalog Number:
AG01C2CU
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
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Product Description
Catalog Number:
AG01C2CU
Chemical Name:
4-(4-methyl-1H-pyrazol-1-yl)benzonitrile
CAS Number:
873009-49-5
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD08559104
IUPAC Name:
4-(4-methylpyrazol-1-yl)benzonitrile
InChI:
InChI=1S/C11H9N3/c1-9-7-13-14(8-9)11-4-2-10(6-12)3-5-11/h2-5,7-8H,1H3
InChI Key:
LDNOHDUJNAVWFT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1ncc(c1)C
Properties
Complexity:
234  
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:
2  
Properties