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99907-59-2 | Ethanimidic acid, N-[2-nitro-4-(trifluoromethyl)phenoxy]-, ethyl ester
CAS No: 99907-59-2 Catalog No: AG003VJ4 MDL No:
Product Description
Catalog Number:
AG003VJ4
Chemical Name:
Ethanimidic acid, N-[2-nitro-4-(trifluoromethyl)phenoxy]-, ethyl ester
CAS Number:
99907-59-2
Molecular Formula:
C11H11F3N2O4
Molecular Weight:
292.2112
IUPAC Name:
ethyl N-[2-nitro-4-(trifluoromethyl)phenoxy]ethanimidate
InChI:
InChI=1S/C11H11F3N2O4/c1-3-19-7(2)15-20-10-5-4-8(11(12,13)14)6-9(10)16(17)18/h4-6H,3H2,1-2H3
InChI Key:
BXXBVCKYBMEONQ-UHFFFAOYSA-N
SMILES:
CCOC(=NOc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.214g/mol
Monoisotopic Mass:
292.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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