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70176-30-6 | Benzenamine, N-methoxy-2,6-dinitro-4-(trifluoromethyl)-
CAS No: 70176-30-6 Catalog No: AG005KRR MDL No:
Product Description
Catalog Number:
AG005KRR
Chemical Name:
Benzenamine, N-methoxy-2,6-dinitro-4-(trifluoromethyl)-
CAS Number:
70176-30-6
Molecular Formula:
C8H6F3N3O5
Molecular Weight:
281.1455
IUPAC Name:
N-methoxy-2,6-dinitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H6F3N3O5/c1-19-12-7-5(13(15)16)2-4(8(9,10)11)3-6(7)14(17)18/h2-3,12H,1H3
InChI Key:
JIJAINRBRQUYKP-UHFFFAOYSA-N
SMILES:
CONc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.147g/mol
Monoisotopic Mass:
281.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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