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Home > Fluorides > 122882-12-6
122882-12-6 | 2-Propenenitrile, 3-[3-(trifluoromethoxy)phenyl]-
CAS No: 122882-12-6 Catalog No: AG000JOP MDL No:
Product Description
Catalog Number:
AG000JOP
Chemical Name:
2-Propenenitrile, 3-[3-(trifluoromethoxy)phenyl]-
CAS Number:
122882-12-6
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
IUPAC Name:
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C10H6F3NO/c11-10(12,13)15-9-5-1-3-8(7-9)4-2-6-14/h1-5,7H/b4-2+
InChI Key:
USJNORRWSWFMEP-DUXPYHPUSA-N
SMILES:
N#CC=Cc1cccc(c1)OC(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
3.5
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