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73927-20-5 | 2-CHLOROCYCLOHEXYL 2,4-DINITROPHENYL SULFOXIDE
CAS No: 73927-20-5 Catalog No: AG005AHH MDL No:
Product Description
Catalog Number:
AG005AHH
Chemical Name:
2-CHLOROCYCLOHEXYL 2,4-DINITROPHENYL SULFOXIDE
CAS Number:
73927-20-5
Molecular Formula:
C12H13ClN2O5S
Molecular Weight:
332.7600
IUPAC Name:
1-(2-chlorocyclohexyl)sulfinyl-2,4-dinitrobenzene
InChI:
InChI=1S/C12H13ClN2O5S/c13-9-3-1-2-4-11(9)21(20)12-6-5-8(14(16)17)7-10(12)15(18)19/h5-7,9,11H,1-4H2
InChI Key:
OMSWTTLZLNVEJO-UHFFFAOYSA-N
SMILES:
ClC1CCCCC1S(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
221140
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.755g/mol
Monoisotopic Mass:
332.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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