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Home > Nitro Compounds > 141627-42-1
141627-42-1 | Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-
CAS No: 141627-42-1 Catalog No: AG001GPU MDL No:MFCD14525623
Product Description
Catalog Number:
AG001GPU
Chemical Name:
Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-
CAS Number:
141627-42-1
Molecular Formula:
C20H19NO5
Molecular Weight:
353.3686
MDL Number:
MFCD14525623
IUPAC Name:
(2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C20H19NO5/c1-3-4-5-18-19(20(22)13-6-9-15(25-2)10-7-13)16-12-14(21(23)24)8-11-17(16)26-18/h6-12H,3-5H2,1-2H3
InChI Key:
WYALRXZJYXWYGR-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1C(=O)c1ccc(cc1)OC)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.374g/mol
Monoisotopic Mass:
353.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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