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Home > Nitro Compounds > 712344-66-6
712344-66-6 | 3-(4-Methoxy-phenoxymethyl)-1-nitro-benzene
CAS No: 712344-66-6 Catalog No: AG01EX28 MDL No:
Product Description
Catalog Number:
AG01EX28
Chemical Name:
3-(4-Methoxy-phenoxymethyl)-1-nitro-benzene
CAS Number:
712344-66-6
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
1-[(4-methoxyphenoxy)methyl]-3-nitrobenzene
InChI:
InChI=1S/C14H13NO4/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3
InChI Key:
JQNMPYYKOKJEAD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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