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Home > Nitro Compounds > 88673-89-6
88673-89-6 | Methanone, (5-hydroxy-4,6-dinitro-3-benzofuranyl)(4-methoxyphenyl)-
CAS No: 88673-89-6 Catalog No: AG0048CR MDL No:
Product Description
Catalog Number:
AG0048CR
Chemical Name:
Methanone, (5-hydroxy-4,6-dinitro-3-benzofuranyl)(4-methoxyphenyl)-
CAS Number:
88673-89-6
Molecular Formula:
C16H10N2O8
Molecular Weight:
358.2592
IUPAC Name:
(5-hydroxy-4,6-dinitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C16H10N2O8/c1-25-9-4-2-8(3-5-9)15(19)10-7-26-12-6-11(17(21)22)16(20)14(13(10)12)18(23)24/h2-7,20H,1H3
InChI Key:
OATOPPLVCRCPHZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1coc2c1c([N+](=O)[O-])c(c(c2)[N+](=O)[O-])O
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.044g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.262g/mol
Monoisotopic Mass:
358.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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