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Home > Nitro Compounds > 40105-90-6
40105-90-6 | [5-(2-Nitro-phenyl)-furan-2-yl]-methanol
CAS No: 40105-90-6 Catalog No: AG016KFV MDL No:
Product Description
Catalog Number:
AG016KFV
Chemical Name:
[5-(2-Nitro-phenyl)-furan-2-yl]-methanol
CAS Number:
40105-90-6
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
[5-(2-nitrophenyl)furan-2-yl]methanol
InChI:
InChI=1S/C11H9NO4/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-6,13H,7H2
InChI Key:
CQXMSZDBQVMXPD-UHFFFAOYSA-N
SMILES:
OCc1ccc(o1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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