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Home > Nitro Compounds > 67685-03-4
67685-03-4 | Benzene, 1-(2-ethoxyethoxy)-4-(2-nitroethenyl)-
CAS No: 67685-03-4 Catalog No: AG005QNN MDL No:
Product Description
Catalog Number:
AG005QNN
Chemical Name:
Benzene, 1-(2-ethoxyethoxy)-4-(2-nitroethenyl)-
CAS Number:
67685-03-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
1-(2-ethoxyethoxy)-4-(2-nitroethenyl)benzene
InChI:
InChI=1S/C12H15NO4/c1-2-16-9-10-17-12-5-3-11(4-6-12)7-8-13(14)15/h3-8H,2,9-10H2,1H3
InChI Key:
PVWFLCDJGQQPSO-UHFFFAOYSA-N
SMILES:
CCOCCOc1ccc(cc1)C=C[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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