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Home > Nitro Compounds > 15868-62-9
15868-62-9 | Benzofuran, 7-methoxy-2,3-dimethyl-4-nitro-
CAS No: 15868-62-9 Catalog No: AG001QR3 MDL No:MFCD05256197
Product Description
Catalog Number:
AG001QR3
Chemical Name:
Benzofuran, 7-methoxy-2,3-dimethyl-4-nitro-
CAS Number:
15868-62-9
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD05256197
IUPAC Name:
7-methoxy-2,3-dimethyl-4-nitro-1-benzofuran
InChI:
InChI=1S/C11H11NO4/c1-6-7(2)16-11-9(15-3)5-4-8(10(6)11)12(13)14/h4-5H,1-3H3
InChI Key:
TYJRNAWRIUWZFW-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1oc(c2C)C)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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