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Home > Nitro Compounds > 85986-91-0
85986-91-0 | 5(4H)-Oxazolone, 2-methyl-4-[(2-nitrophenyl)methylene]-
CAS No: 85986-91-0 Catalog No: AG004VNF MDL No:
Product Description
Catalog Number:
AG004VNF
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-[(2-nitrophenyl)methylene]-
CAS Number:
85986-91-0
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
IUPAC Name:
2-methyl-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
InChI:
InChI=1S/C11H8N2O4/c1-7-12-9(11(14)17-7)6-8-4-2-3-5-10(8)13(15)16/h2-6H,1H3
InChI Key:
KBBINJZIGXCCNW-UHFFFAOYSA-N
SMILES:
CC1=NC(=Cc2ccccc2[N+](=O)[O-])C(=O)O1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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