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Home > Nitro Compounds > 85013-53-2
85013-53-2 | Benzene, 1-(ethoxyphenylmethoxy)-3-nitro-
CAS No: 85013-53-2 Catalog No: AG004Q0C MDL No:
Product Description
Catalog Number:
AG004Q0C
Chemical Name:
Benzene, 1-(ethoxyphenylmethoxy)-3-nitro-
CAS Number:
85013-53-2
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
1-[ethoxy(phenyl)methoxy]-3-nitrobenzene
InChI:
InChI=1S/C15H15NO4/c1-2-19-15(12-7-4-3-5-8-12)20-14-10-6-9-13(11-14)16(17)18/h3-11,15H,2H2,1H3
InChI Key:
SVESXJLQJBPNHR-UHFFFAOYSA-N
SMILES:
CCOC(c1ccccc1)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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