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Home > Nitro Compounds > 439095-26-8
439095-26-8 | 2-(5-nitro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
CAS No: 439095-26-8 Catalog No: AG00IU53 MDL No:MFCD03425771
Product Description
Catalog Number:
AG00IU53
Chemical Name:
2-(5-nitro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
CAS Number:
439095-26-8
Molecular Formula:
C9H7N3O5
Molecular Weight:
237.1690
MDL Number:
MFCD03425771
IUPAC Name:
2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
InChI:
InChI=1S/C9H7N3O5/c10-8(13)4-11-6-3-5(12(15)16)1-2-7(6)17-9(11)14/h1-3H,4H2,(H2,10,13)
InChI Key:
XJXYMIGVSHJOCY-UHFFFAOYSA-N
SMILES:
NC(=O)Cn1c(=O)oc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.171g/mol
Monoisotopic Mass:
237.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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