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Home > Nitro Compounds > 1354937-53-3
1354937-53-3 | 3-(3,5-dinitrophenyl)-1,2-oxazol-5-ol
CAS No: 1354937-53-3 Catalog No: AG00JSS9 MDL No:MFCD21334985
Product Description
Catalog Number:
AG00JSS9
Chemical Name:
3-(3,5-dinitrophenyl)-1,2-oxazol-5-ol
CAS Number:
1354937-53-3
Molecular Formula:
C9H5N3O6
Molecular Weight:
251.1525
MDL Number:
MFCD21334985
IUPAC Name:
3-(3,5-dinitrophenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C9H5N3O6/c13-9-4-8(10-18-9)5-1-6(11(14)15)3-7(2-5)12(16)17/h1-4,10H
InChI Key:
RKWBQGFJBPTEMC-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.154g/mol
Monoisotopic Mass:
251.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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