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Home Nitriles (2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile, E

(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile, E

CAS No.:
51791-29-8
Catalog Number:
AG01E71T
Molecular Formula:
C10H6F3N
Molecular Weight:
197.1565
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Product Description
Catalog Number:
AG01E71T
Chemical Name:
(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile, E
CAS Number:
51791-29-8
Molecular Formula:
C10H6F3N
Molecular Weight:
197.1565
MDL Number:
MFCD16083020
IUPAC Name:
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C10H6F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-6H/b2-1+
InChI Key:
KOVQKDRPQUROPC-OWOJBTEDSA-N
SMILES:
N#C/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
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:
0
XLogP3:
3  
Properties