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Home > Nitro Compounds > 88521-67-9
88521-67-9 | Benzofuran, 3-methyl-5-nitro-
CAS No: 88521-67-9 Catalog No: AG0048J4 MDL No:
Product Description
Catalog Number:
AG0048J4
Chemical Name:
Benzofuran, 3-methyl-5-nitro-
CAS Number:
88521-67-9
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
3-methyl-5-nitro-1-benzofuran
InChI:
InChI=1S/C9H7NO3/c1-6-5-13-9-3-2-7(10(11)12)4-8(6)9/h2-5H,1H3
InChI Key:
SXLMAPJOAHBIJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(C)coc2cc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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