Home Nitriles 2-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzonitrile

2-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzonitrile

CAS No.:
956728-61-3
Catalog Number:
AG019KJV
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
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Product Description
Catalog Number:
AG019KJV
Chemical Name:
2-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzonitrile
CAS Number:
956728-61-3
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
MDL Number:
MFCD09040550
IUPAC Name:
2-[4-(pyrazol-1-ylmethyl)phenyl]benzonitrile
InChI:
InChI=1S/C17H13N3/c18-12-16-4-1-2-5-17(16)15-8-6-14(7-9-15)13-20-11-3-10-19-20/h1-11H,13H2
InChI Key:
ZCIMWPAAEBSURX-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(cc1)Cn1cccn1
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties