Home Nitriles 1-Benzylpyrazole-3-carbonitrile

1-Benzylpyrazole-3-carbonitrile

CAS No.:
1427475-28-2
Catalog Number:
AG003E0M
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003E0M
Chemical Name:
1-Benzylpyrazole-3-carbonitrile
CAS Number:
1427475-28-2
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD23381125
IUPAC Name:
1-benzylpyrazole-3-carbonitrile
InChI:
InChI=1S/C11H9N3/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,9H2
InChI Key:
JVLQVIPFAWLBCD-UHFFFAOYSA-N
SMILES:
N#Cc1ccn(n1)Cc1ccccc1
Properties
Complexity:
224  
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:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties