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Home > Nitro Compounds > 114566-15-3
114566-15-3 | 2H-1,4-Benzoxazin-3(4H)-one, 2-(2-furanylmethylene)-6-nitro-
CAS No: 114566-15-3 Catalog No: AG000EOZ MDL No:
Product Description
Catalog Number:
AG000EOZ
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 2-(2-furanylmethylene)-6-nitro-
CAS Number:
114566-15-3
Molecular Formula:
C13H8N2O5
Molecular Weight:
272.2130
IUPAC Name:
2-(furan-2-ylmethylidene)-6-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C13H8N2O5/c16-13-12(7-9-2-1-5-19-9)20-11-4-3-8(15(17)18)6-10(11)14-13/h1-7H,(H,14,16)
InChI Key:
KRDXBCHLWNDGAA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(=O)c(=Cc1ccco1)o2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.216g/mol
Monoisotopic Mass:
272.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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