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70757-16-3 | N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-CHLORO-2,6-DINITRO-4-(TRIFLUOROMETHYL)ANILINE
CAS No: 70757-16-3 Catalog No: AG005GN8 MDL No:
Product Description
Catalog Number:
AG005GN8
Chemical Name:
N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-CHLORO-2,6-DINITRO-4-(TRIFLUOROMETHYL)ANILINE
CAS Number:
70757-16-3
Molecular Formula:
C15H5ClF9N3O4
Molecular Weight:
497.6565
IUPAC Name:
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C15H5ClF9N3O4/c16-10-8(15(23,24)25)4-9(27(29)30)11(12(10)28(31)32)26-7-2-5(13(17,18)19)1-6(3-7)14(20,21)22/h1-4,26H
InChI Key:
AYTXQERIVRHVNH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(c(c1Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])Cl)C(F)(F)F
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.982g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
497.658g/mol
Monoisotopic Mass:
496.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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