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17811-40-4 | Benzene, 2-ethoxy-1,3-dinitro-5-(trifluoromethyl)-
CAS No: 17811-40-4 Catalog No: AG0025RU MDL No:
Product Description
Catalog Number:
AG0025RU
Chemical Name:
Benzene, 2-ethoxy-1,3-dinitro-5-(trifluoromethyl)-
CAS Number:
17811-40-4
Molecular Formula:
C9H7F3N2O5
Molecular Weight:
280.1575
IUPAC Name:
2-ethoxy-1,3-dinitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H7F3N2O5/c1-2-19-8-6(13(15)16)3-5(9(10,11)12)4-7(8)14(17)18/h3-4H,2H2,1H3
InChI Key:
HNUZQKYWTMYDJM-UHFFFAOYSA-N
SMILES:
CCOc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.159g/mol
Monoisotopic Mass:
280.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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