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89303-34-4 | Benzene, 2-nitro-1-[(phenylsulfonyl)methyl]-3-(trifluoromethyl)-
CAS No: 89303-34-4 Catalog No: AG0040CG MDL No:
Product Description
Catalog Number:
AG0040CG
Chemical Name:
Benzene, 2-nitro-1-[(phenylsulfonyl)methyl]-3-(trifluoromethyl)-
CAS Number:
89303-34-4
Molecular Formula:
C14H10F3NO4S
Molecular Weight:
345.2937
IUPAC Name:
1-(benzenesulfonylmethyl)-2-nitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H10F3NO4S/c15-14(16,17)12-8-4-5-10(13(12)18(19)20)9-23(21,22)11-6-2-1-3-7-11/h1-8H,9H2
InChI Key:
JPRKXAPFAMWCDJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1C(F)(F)F)CS(=O)(=O)c1ccccc1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.292g/mol
Monoisotopic Mass:
345.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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