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Home > Nitro Compounds > 126318-27-2
126318-27-2 | 5-Benzofuranol, 3-nitro-
CAS No: 126318-27-2 Catalog No: AG000SJM MDL No:MFCD00114881
Product Description
Catalog Number:
AG000SJM
Chemical Name:
5-Benzofuranol, 3-nitro-
CAS Number:
126318-27-2
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD00114881
IUPAC Name:
3-nitro-1-benzofuran-5-ol
InChI:
InChI=1S/C8H5NO4/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H
InChI Key:
ZQPBTBWGCWHIGU-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(co2)[N+](=O)[O-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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