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Home > Nitro Compounds > 88521-69-1
88521-69-1 | Benzofuran, 3-(1-methylethyl)-5-nitro-
CAS No: 88521-69-1 Catalog No: AG00482F MDL No:
Product Description
Catalog Number:
AG00482F
Chemical Name:
Benzofuran, 3-(1-methylethyl)-5-nitro-
CAS Number:
88521-69-1
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
5-nitro-3-propan-2-yl-1-benzofuran
InChI:
InChI=1S/C11H11NO3/c1-7(2)10-6-15-11-4-3-8(12(13)14)5-9(10)11/h3-7H,1-2H3
InChI Key:
NBCLNXADKLMGOZ-UHFFFAOYSA-N
SMILES:
CC(c1coc2c1cc(cc2)[N+](=O)[O-])C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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