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1550-27-2 | Benzene, 1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]-
CAS No: 1550-27-2 Catalog No: AG001NJE MDL No:MFCD00435125
Product Description
Catalog Number:
AG001NJE
Chemical Name:
Benzene, 1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]-
CAS Number:
1550-27-2
Molecular Formula:
C7H3ClF3NO4S
Molecular Weight:
289.6162
MDL Number:
MFCD00435125
IUPAC Name:
1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzene
InChI:
InChI=1S/C7H3ClF3NO4S/c8-5-2-1-4(3-6(5)12(13)14)17(15,16)7(9,10)11/h1-3H
InChI Key:
BDIMBZRJVHLTPD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)C(F)(F)F
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.942g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.609g/mol
Monoisotopic Mass:
288.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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