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Home Nitriles (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile

(5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile

CAS No.:
86999-29-3
Catalog Number:
AG00GTLS
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00GTLS
Chemical Name:
(5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
CAS Number:
86999-29-3
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
MDL Number:
MFCD06654838
IUPAC Name:
2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile
InChI:
InChI=1S/C10H8N4/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8/h1-5H,6H2,(H,12,13,14)
InChI Key:
DDXUUSTVPHVENY-UHFFFAOYSA-N
SMILES:
N#CCc1nnc([nH]1)c1ccccc1
NSC Number:
679486
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties