Home Nitriles (E)-3-[3-(trifluoromethyl)phenyl]acrylonitrile

(E)-3-[3-(trifluoromethyl)phenyl]acrylonitrile

CAS No.:
58177-64-3
Catalog Number:
AG00EUVS
Molecular Formula:
C10H6F3N
Molecular Weight:
197.1565
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Product Description
Catalog Number:
AG00EUVS
Chemical Name:
(E)-3-[3-(trifluoromethyl)phenyl]acrylonitrile
CAS Number:
58177-64-3
Molecular Formula:
C10H6F3N
Molecular Weight:
197.1565
MDL Number:
MFCD12923202
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C10H6F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7H
InChI Key:
AQKTWIMZLCJHDR-UHFFFAOYSA-N
SMILES:
N#CC=Cc1cccc(c1)C(F)(F)F
EC Number:
261-154-4
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.045g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.16g/mol
Monoisotopic Mass:
197.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3  
Properties