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42379-55-5 | 2-Nitro-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)aniline
CAS No: 42379-55-5 Catalog No: AG01EVX4 MDL No:MFCD12652406
Product Description
Catalog Number:
AG01EVX4
Chemical Name:
2-Nitro-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)aniline
CAS Number:
42379-55-5
Molecular Formula:
C9H6F6N2O2
Molecular Weight:
288.1466
MDL Number:
MFCD12652406
IUPAC Name:
2-nitro-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C9H6F6N2O2/c10-8(11,12)4-16-6-2-1-5(9(13,14)15)3-7(6)17(18)19/h1-3,16H,4H2
InChI Key:
XHZPNTKSWUIZIB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NCC(F)(F)F)C(F)(F)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.149g/mol
Monoisotopic Mass:
288.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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