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89733-03-9 | Benzene, 4-chloro-1-[(4-fluorophenyl)thio]-2-nitro-
CAS No: 89733-03-9 Catalog No: AG0041HI MDL No:
Product Description
Catalog Number:
AG0041HI
Chemical Name:
Benzene, 4-chloro-1-[(4-fluorophenyl)thio]-2-nitro-
CAS Number:
89733-03-9
Molecular Formula:
C12H7ClFNO2S
Molecular Weight:
283.7059
IUPAC Name:
4-chloro-1-(4-fluorophenyl)sulfanyl-2-nitrobenzene
InChI:
InChI=1S/C12H7ClFNO2S/c13-8-1-6-12(11(7-8)15(16)17)18-10-4-2-9(14)3-5-10/h1-7H
InChI Key:
PATAOMWNAPJLBF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.987g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.701g/mol
Monoisotopic Mass:
282.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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