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Home > Nitro Compounds > 141645-16-1
141645-16-1 | Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-
CAS No: 141645-16-1 Catalog No: AG001GU5 MDL No:MFCD14525622
Product Description
Catalog Number:
AG001GU5
Chemical Name:
Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-
CAS Number:
141645-16-1
Molecular Formula:
C19H17NO5
Molecular Weight:
339.3420
MDL Number:
MFCD14525622
IUPAC Name:
(2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3
InChI Key:
ZJZKLBXEGZKOBW-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1C(=O)c1ccc(cc1)O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.347g/mol
Monoisotopic Mass:
339.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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