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Home > Nitro Compounds > 88673-87-4
88673-87-4 | Methanone, (5-hydroxy-4,6-dinitro-3-benzofuranyl)phenyl-
CAS No: 88673-87-4 Catalog No: AG0048CS MDL No:
Product Description
Catalog Number:
AG0048CS
Chemical Name:
Methanone, (5-hydroxy-4,6-dinitro-3-benzofuranyl)phenyl-
CAS Number:
88673-87-4
Molecular Formula:
C15H8N2O7
Molecular Weight:
328.2332
IUPAC Name:
(5-hydroxy-4,6-dinitro-1-benzofuran-3-yl)-phenylmethanone
InChI:
InChI=1S/C15H8N2O7/c18-14(8-4-2-1-3-5-8)9-7-24-11-6-10(16(20)21)15(19)13(12(9)11)17(22)23/h1-7,19H
InChI Key:
LUFNQCYWDDMLJD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c2c(occ2C(=O)c2ccccc2)cc(c1O)[N+](=O)[O-]
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.033g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.236g/mol
Monoisotopic Mass:
328.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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