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17738-89-5 | Ethanediamide, N1,N2-bis[3-(trifluoromethyl)phenyl]-
CAS No: 17738-89-5 Catalog No: AG0025AN MDL No:
Product Description
Catalog Number:
AG0025AN
Chemical Name:
Ethanediamide, N1,N2-bis[3-(trifluoromethyl)phenyl]-
CAS Number:
17738-89-5
Molecular Formula:
C16H10F6N2O2
Molecular Weight:
376.2532
IUPAC Name:
N,N'-bis[3-(trifluoromethyl)phenyl]oxamide
InChI:
InChI=1S/C16H10F6N2O2/c17-15(18,19)9-3-1-5-11(7-9)23-13(25)14(26)24-12-6-2-4-10(8-12)16(20,21)22/h1-8H,(H,23,25)(H,24,26)
InChI Key:
PTGSEDOEHBLQNB-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.258g/mol
Monoisotopic Mass:
376.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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