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Home > Fluorides > 133191-70-5
133191-70-5 | Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro-
CAS No: 133191-70-5 Catalog No: AG0014E1 MDL No:
Product Description
Catalog Number:
AG0014E1
Chemical Name:
Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro-
CAS Number:
133191-70-5
Molecular Formula:
C14H12FNO4S
Molecular Weight:
309.3128
IUPAC Name:
4-fluoro-2-[(4-methylphenyl)sulfonylmethyl]-1-nitrobenzene
InChI:
InChI=1S/C14H12FNO4S/c1-10-2-5-13(6-3-10)21(19,20)9-11-8-12(15)4-7-14(11)16(17)18/h2-8H,9H2,1H3
InChI Key:
HGKHCAMHAGANBS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Cc1cc(F)ccc1[N+](=O)[O-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.311g/mol
Monoisotopic Mass:
309.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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