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140403-30-1 | Thiophene, 2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitro-
CAS No: 140403-30-1 Catalog No: AG001CCR MDL No:
Product Description
Catalog Number:
AG001CCR
Chemical Name:
Thiophene, 2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitro-
CAS Number:
140403-30-1
Molecular Formula:
C17H12FNO4S2
Molecular Weight:
377.4099
IUPAC Name:
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-nitrothiophene
InChI:
InChI=1S/C17H12FNO4S2/c1-25(22,23)14-8-4-11(5-9-14)15-10-16(19(20)21)24-17(15)12-2-6-13(18)7-3-12/h2-10H,1H3
InChI Key:
LOSPPOPSQTVSGF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1sc(cc1c1ccc(cc1)S(=O)(=O)C)[N+](=O)[O-]
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.019g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.404g/mol
Monoisotopic Mass:
377.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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