200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1155846-86-8
1155846-86-8 | Benzonitrile, 3-chloro-5-[[1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-
CAS No: 1155846-86-8 Catalog No: AG000G72 MDL No:
Product Description
Catalog Number:
AG000G72
Chemical Name:
Benzonitrile, 3-chloro-5-[[1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-
CAS Number:
1155846-86-8
Molecular Formula:
C13H6ClF3N2O2
Molecular Weight:
314.6471
IUPAC Name:
3-chloro-5-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]oxy]benzonitrile
InChI:
InChI=1S/C13H6ClF3N2O2/c14-8-3-7(6-18)4-9(5-8)21-11-10(13(15,16)17)1-2-19-12(11)20/h1-5H,(H,19,20)
InChI Key:
HWTORHRJFMRBLG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)Cl)Oc1c(=O)[nH]ccc1C(F)(F)F
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.648g/mol
Monoisotopic Mass:
314.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.