Home Nitriles 3-methyl-4-(1H-pyrazol-1-yl)benzonitrile

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

CAS No.:
1183211-70-2
Catalog Number:
AG01C3HJ
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
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Product Description
Catalog Number:
AG01C3HJ
Chemical Name:
3-methyl-4-(1H-pyrazol-1-yl)benzonitrile
CAS Number:
1183211-70-2
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD12766918
IUPAC Name:
3-methyl-4-pyrazol-1-ylbenzonitrile
InChI:
InChI=1S/C11H9N3/c1-9-7-10(8-12)3-4-11(9)14-6-2-5-13-14/h2-7H,1H3
InChI Key:
JCEGANNNVQBIRO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)n1cccn1
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:
2  
Properties