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364-48-7 | 4-(methylsulphonyl)-3-nitrobenzotrifluoride
CAS No: 364-48-7 Catalog No: AG01F3JH MDL No:
Product Description
Catalog Number:
AG01F3JH
Chemical Name:
4-(methylsulphonyl)-3-nitrobenzotrifluoride
CAS Number:
364-48-7
Molecular Formula:
C8H6F3NO4S
Molecular Weight:
269.1977
IUPAC Name:
1-methylsulfonyl-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO4S/c1-17(15,16)7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3
InChI Key:
HPHXDCJMSQGRDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)C)C(F)(F)F
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.194g/mol
Monoisotopic Mass:
268.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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