Home Nitriles 2-(trifluoromethyl)-1,3-oxazole-4-carbonitrile

2-(trifluoromethyl)-1,3-oxazole-4-carbonitrile

CAS No.:
1240605-82-6
Catalog Number:
AG01B6R1
Molecular Formula:
C5HF3N2O
Molecular Weight:
162.0694
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B6R1
Chemical Name:
2-(trifluoromethyl)-1,3-oxazole-4-carbonitrile
CAS Number:
1240605-82-6
Molecular Formula:
C5HF3N2O
Molecular Weight:
162.0694
MDL Number:
MFCD16989343
IUPAC Name:
2-(trifluoromethyl)-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C5HF3N2O/c6-5(7,8)4-10-3(1-9)2-11-4/h2H
InChI Key:
INEHIDGQRZPCGC-UHFFFAOYSA-N
SMILES:
N#Cc1coc(n1)C(F)(F)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.071g/mol
Monoisotopic Mass:
162.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties