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Home > Nitro Compounds > 16398-16-6
16398-16-6 | Dibenz[b,f][1,4]oxazepin-11(10H)-one, 2-nitro-
CAS No: 16398-16-6 Catalog No: AG00HZ2K MDL No:MFCD00478144
Product Description
Catalog Number:
AG00HZ2K
Chemical Name:
Dibenz[b,f][1,4]oxazepin-11(10H)-one, 2-nitro-
CAS Number:
16398-16-6
Molecular Formula:
C13H8N2O4
Molecular Weight:
256.2136
MDL Number:
MFCD00478144
IUPAC Name:
8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
InChI:
InChI=1S/C13H8N2O4/c16-13-9-7-8(15(17)18)5-6-11(9)19-12-4-2-1-3-10(12)14-13/h1-7H,(H,14,16)
InChI Key:
AKXKFNUVGGYMJP-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2Oc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.217g/mol
Monoisotopic Mass:
256.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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