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Home > Nitro Compounds > 886493-84-1
886493-84-1 | Furan-2-yl-(7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanone
CAS No: 886493-84-1 Catalog No: AG01F5X1 MDL No:
Product Description
Catalog Number:
AG01F5X1
Chemical Name:
Furan-2-yl-(7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanone
CAS Number:
886493-84-1
Molecular Formula:
C13H9NO6
Molecular Weight:
275.2137
IUPAC Name:
furan-2-yl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
InChI:
InChI=1S/C13H9NO6/c15-13(10-2-1-3-18-10)8-6-11-12(20-5-4-19-11)7-9(8)14(16)17/h1-3,6-7H,4-5H2
InChI Key:
MTYIRPSSHWQNFC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCOc2cc1C(=O)c1ccco1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.216g/mol
Monoisotopic Mass:
275.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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