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Home > Nitro Compounds > 1376300-86-5
1376300-86-5 | 2-ethyl-5-(4-nitrobenzoyl)furan
CAS No: 1376300-86-5 Catalog No: AG019YT6 MDL No:MFCD22196523
Product Description
Catalog Number:
AG019YT6
Chemical Name:
2-ethyl-5-(4-nitrobenzoyl)furan
CAS Number:
1376300-86-5
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD22196523
IUPAC Name:
(5-ethylfuran-2-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C13H11NO4/c1-2-11-7-8-12(18-11)13(15)9-3-5-10(6-4-9)14(16)17/h3-8H,2H2,1H3
InChI Key:
WFCNROCXLJMRGP-UHFFFAOYSA-N
SMILES:
CCc1ccc(o1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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