200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 78288-94-5
78288-94-5 | 7-Nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepine
CAS No: 78288-94-5 Catalog No: AG003NGP MDL No:MFCD00508323
Product Description
Catalog Number:
AG003NGP
Chemical Name:
7-Nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepine
CAS Number:
78288-94-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00508323
IUPAC Name:
7-nitro-3,4-dihydro-2H-1,5-benzodioxepine
InChI:
InChI=1S/C9H9NO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
InChI Key:
DYLOYOGDBJZJDV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OCCCO2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.