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Home > Nitro Compounds > 1198094-61-9
1198094-61-9 | 4-(5-Nitrofuran-2-yl)benzyl alcohol
CAS No: 1198094-61-9 Catalog No: AG01FDTQ MDL No:
Product Description
Catalog Number:
AG01FDTQ
Chemical Name:
4-(5-Nitrofuran-2-yl)benzyl alcohol
CAS Number:
1198094-61-9
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
[4-(5-nitrofuran-2-yl)phenyl]methanol
InChI:
InChI=1S/C11H9NO4/c13-7-8-1-3-9(4-2-8)10-5-6-11(16-10)12(14)15/h1-6,13H,7H2
InChI Key:
AUEVSDNJBUNLSG-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
245
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:
1.9
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