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79614-71-4 | N-[3-CHLORO-2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-5-(TRIFLUOROMETHYL) PYRIDIN-2-AMINE
CAS No: 79614-71-4 Catalog No: AG005IO7 MDL No:
Product Description
Catalog Number:
AG005IO7
Chemical Name:
N-[3-CHLORO-2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-5-(TRIFLUOROMETHYL) PYRIDIN-2-AMINE
CAS Number:
79614-71-4
Molecular Formula:
C13H5ClF6N4O4
Molecular Weight:
430.6466
IUPAC Name:
N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
InChI:
InChI=1S/C13H5ClF6N4O4/c14-9-6(13(18,19)20)3-7(23(25)26)10(11(9)24(27)28)22-8-2-1-5(4-21-8)12(15,16)17/h1-4H,(H,21,22)
InChI Key:
ZHSJDPLEMDPLAG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(c(c1Nc1ccc(cn1)C(F)(F)F)[N+](=O)[O-])Cl)C(F)(F)F
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.99g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.647g/mol
Monoisotopic Mass:
429.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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