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Home > Nitro Compounds > 86698-38-6
86698-38-6 | Furan, 2,2'-[(4-nitrophenyl)methylene]bis[5-methyl-
CAS No: 86698-38-6 Catalog No: AG004O67 MDL No:
Product Description
Catalog Number:
AG004O67
Chemical Name:
Furan, 2,2'-[(4-nitrophenyl)methylene]bis[5-methyl-
CAS Number:
86698-38-6
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
2-methyl-5-[(5-methylfuran-2-yl)-(4-nitrophenyl)methyl]furan
InChI:
InChI=1S/C17H15NO4/c1-11-3-9-15(21-11)17(16-10-4-12(2)22-16)13-5-7-14(8-6-13)18(19)20/h3-10,17H,1-2H3
InChI Key:
BRZPYEQKKPNOFG-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C(c1ccc(o1)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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