Home Nitriles 3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile

3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile

CAS No.:
103962-06-7
Catalog Number:
AG01B406
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
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Product Description
Catalog Number:
AG01B406
Chemical Name:
3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile
CAS Number:
103962-06-7
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
MDL Number:
MFCD00662454
IUPAC Name:
3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C10H6F3NO/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-6H
InChI Key:
WZUSKVBYPYISLI-UHFFFAOYSA-N
SMILES:
N#CC=Cc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.159g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.2  
Properties