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Home > Nitro Compounds > 102492-62-6
102492-62-6 | 11H-Dibenzo[b,e][1,4]dioxepin, 2-nitro-
CAS No: 102492-62-6 Catalog No: AG00H9SV MDL No:MFCD03197113
Product Description
Catalog Number:
AG00H9SV
Chemical Name:
11H-Dibenzo[b,e][1,4]dioxepin, 2-nitro-
CAS Number:
102492-62-6
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD03197113
IUPAC Name:
8-nitro-6H-benzo[b][1,4]benzodioxepine
InChI:
InChI=1S/C13H9NO4/c15-14(16)10-5-6-11-9(7-10)8-17-12-3-1-2-4-13(12)18-11/h1-7H,8H2
InChI Key:
SUILBQMWSCUVNS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)COc1c(O2)cccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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