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141682-27-1 | Benzenamine, N-(1-methylethoxy)-2,6-dinitro-4-(trifluoromethyl)-
CAS No: 141682-27-1 Catalog No: AG001GVQ MDL No:
Product Description
Catalog Number:
AG001GVQ
Chemical Name:
Benzenamine, N-(1-methylethoxy)-2,6-dinitro-4-(trifluoromethyl)-
CAS Number:
141682-27-1
Molecular Formula:
C10H10F3N3O5
Molecular Weight:
309.1987
IUPAC Name:
2,6-dinitro-N-propan-2-yloxy-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C10H10F3N3O5/c1-5(2)21-14-9-7(15(17)18)3-6(10(11,12)13)4-8(9)16(19)20/h3-5,14H,1-2H3
InChI Key:
WLQSDTHRUJNRAD-UHFFFAOYSA-N
SMILES:
CC(ONc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.201g/mol
Monoisotopic Mass:
309.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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