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821777-13-3 | Benzenamine, N-(2-methoxyethyl)-N-methyl-4-nitro-2-(trifluoromethyl)-
CAS No: 821777-13-3 Catalog No: AG0057WL MDL No:
Product Description
Catalog Number:
AG0057WL
Chemical Name:
Benzenamine, N-(2-methoxyethyl)-N-methyl-4-nitro-2-(trifluoromethyl)-
CAS Number:
821777-13-3
Molecular Formula:
C11H13F3N2O3
Molecular Weight:
278.2277
IUPAC Name:
N-(2-methoxyethyl)-N-methyl-4-nitro-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H13F3N2O3/c1-15(5-6-19-2)10-4-3-8(16(17)18)7-9(10)11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChI Key:
KFDGLMGPBDSHIN-UHFFFAOYSA-N
SMILES:
COCCN(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.231g/mol
Monoisotopic Mass:
278.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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