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Home Nitriles 4-(1,3-Oxazol-5-yl)benzonitrile

4-(1,3-Oxazol-5-yl)benzonitrile

CAS No.:
87150-13-8
Catalog Number:
AG003K5I
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$173
- +
5g
95%
In Stock USA
United States
$420
- +
Product Description
Catalog Number:
AG003K5I
Chemical Name:
4-(1,3-Oxazol-5-yl)benzonitrile
CAS Number:
87150-13-8
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD00084987
IUPAC Name:
4-(1,3-oxazol-5-yl)benzonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H
InChI Key:
LZMCNLOQTURTHS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cnco1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
The pheromone production of female Plodia interpunctella is inhibited by tyraminergic antagonists. Chemistry & biodiversity 20041101
Properties