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24906-74-9 | Benzene, 1-[(difluoromethyl)sulfonyl]-4-nitro-
CAS No: 24906-74-9 Catalog No: AG002PTN MDL No:MFCD00526197
Product Description
Catalog Number:
AG002PTN
Chemical Name:
Benzene, 1-[(difluoromethyl)sulfonyl]-4-nitro-
CAS Number:
24906-74-9
Molecular Formula:
C7H5F2NO4S
Molecular Weight:
237.1807
MDL Number:
MFCD00526197
IUPAC Name:
1-(difluoromethylsulfonyl)-4-nitrobenzene
InChI:
InChI=1S/C7H5F2NO4S/c8-7(9)15(13,14)6-3-1-5(2-4-6)10(11)12/h1-4,7H
InChI Key:
DVYJGQKFQRBEBY-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])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:
236.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.177g/mol
Monoisotopic Mass:
236.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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