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Home > Nitro Compounds > 178322-42-4
178322-42-4 | Benzofuran, 7-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-5-nitro-
CAS No: 178322-42-4 Catalog No: AG0025XX MDL No:
Product Description
Catalog Number:
AG0025XX
Chemical Name:
Benzofuran, 7-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-5-nitro-
CAS Number:
178322-42-4
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
7-tert-butyl-3,3-dimethyl-5-nitro-2H-1-benzofuran
InChI:
InChI=1S/C14H19NO3/c1-13(2,3)10-6-9(15(16)17)7-11-12(10)18-8-14(11,4)5/h6-7H,8H2,1-5H3
InChI Key:
RHCXNHRXYSCHHV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c2c(c1)C(C)(C)CO2)C(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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