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Home > Nitro Compounds > 89035-34-7
89035-34-7 | 5(4H)-Oxazolone, 2-methyl-4-[(5-nitro-2-thienyl)methylene]-, (Z)-
CAS No: 89035-34-7 Catalog No: AG0043CR MDL No:
Product Description
Catalog Number:
AG0043CR
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-[(5-nitro-2-thienyl)methylene]-, (Z)-
CAS Number:
89035-34-7
Molecular Formula:
C9H6N2O4S
Molecular Weight:
238.2199
IUPAC Name:
2-methyl-4-[(5-nitrothiophen-2-yl)methylidene]-1,3-oxazol-5-one
InChI:
InChI=1S/C9H6N2O4S/c1-5-10-7(9(12)15-5)4-6-2-3-8(16-6)11(13)14/h2-4H,1H3
InChI Key:
ORBAXRKSMIAQFI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)/C=C/1\N=C(OC1=O)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.217g/mol
Monoisotopic Mass:
238.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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