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Home > Nitro Compounds > 82780-78-7
82780-78-7 | 4-Methoxy-2-nitro-1-(phenylmethoxy)benzene
CAS No: 82780-78-7 Catalog No: AG004TFG MDL No:
Product Description
Catalog Number:
AG004TFG
Chemical Name:
4-Methoxy-2-nitro-1-(phenylmethoxy)benzene
CAS Number:
82780-78-7
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
4-methoxy-2-nitro-1-phenylmethoxybenzene
InChI:
InChI=1S/C14H13NO4/c1-18-12-7-8-14(13(9-12)15(16)17)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
AQXBISNAILQFMY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
286
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:
3.2
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