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86434-32-4 | Benzene, 4-fluoro-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS No: 86434-32-4 Catalog No: AG004N0I MDL No:
Product Description
Catalog Number:
AG004N0I
Chemical Name:
Benzene, 4-fluoro-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS Number:
86434-32-4
Molecular Formula:
C13H10FNO4S
Molecular Weight:
295.2862
IUPAC Name:
1-(benzenesulfonylmethyl)-4-fluoro-2-nitrobenzene
InChI:
InChI=1S/C13H10FNO4S/c14-11-7-6-10(13(8-11)15(16)17)9-20(18,19)12-4-2-1-3-5-12/h1-8H,9H2
InChI Key:
CKJLFOXNXKBKHU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])CS(=O)(=O)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.284g/mol
Monoisotopic Mass:
295.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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