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Home > Nitro Compounds > 55211-73-9
55211-73-9 | 2-(4-nitrophenyl)-4H-3,1-benzoxathiin-4-one
CAS No: 55211-73-9 Catalog No: AG00JGZC MDL No:MFCD01928478
Product Description
Catalog Number:
AG00JGZC
Chemical Name:
2-(4-nitrophenyl)-4H-3,1-benzoxathiin-4-one
CAS Number:
55211-73-9
Molecular Formula:
C14H9NO4S
Molecular Weight:
287.2906
MDL Number:
MFCD01928478
IUPAC Name:
2-(4-nitrophenyl)-3,1-benzoxathiin-4-one
InChI:
InChI=1S/C14H9NO4S/c16-13-11-3-1-2-4-12(11)20-14(19-13)9-5-7-10(8-6-9)15(17)18/h1-8,14H
InChI Key:
JGPYSTGKMNQEJQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1OC(=O)c2c(S1)cccc2
NSC Number:
407078
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.289g/mol
Monoisotopic Mass:
287.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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