Home Nitros 7-nitro-3,4-dihydro-1,4-benzoxazepin-5(2H)-one

7-nitro-3,4-dihydro-1,4-benzoxazepin-5(2H)-one

CAS No.:
21228-43-3
Catalog Number:
AG0192WZ
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0192WZ
Chemical Name:
7-nitro-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
CAS Number:
21228-43-3
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD11987062
IUPAC Name:
7-nitro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
InChI:
InChI=1S/C9H8N2O4/c12-9-7-5-6(11(13)14)1-2-8(7)15-4-3-10-9/h1-2,5H,3-4H2,(H,10,12)
InChI Key:
QKXGFMXLKHZJOV-UHFFFAOYSA-N
SMILES:
O=C1NCCOc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties