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133230-00-9 | 2-Pyridinamine, N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3-nitro-5-(trifluoromethyl)-
CAS No: 133230-00-9 Catalog No: AG0014G5 MDL No:
Product Description
Catalog Number:
AG0014G5
Chemical Name:
2-Pyridinamine, N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3-nitro-5-(trifluoromethyl)-
CAS Number:
133230-00-9
Molecular Formula:
C13H4ClF6N5O6
Molecular Weight:
475.6442
IUPAC Name:
N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-3-nitro-5-(trifluoromethyl)pyridin-2-amine
InChI:
InChI=1S/C13H4ClF6N5O6/c14-8-5(13(18,19)20)2-6(23(26)27)9(10(8)25(30)31)22-11-7(24(28)29)1-4(3-21-11)12(15,16)17/h1-3H,(H,21,22)
InChI Key:
NVXQTYHSPADZPX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.975g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.644g/mol
Monoisotopic Mass:
474.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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