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Home > Nitro Compounds > 179104-60-0
179104-60-0 | (4,5-Dimethoxy-2-nitro-phenyl)-phenyl-methanol
CAS No: 179104-60-0 Catalog No: AG01EUES MDL No:
Product Description
Catalog Number:
AG01EUES
Chemical Name:
(4,5-Dimethoxy-2-nitro-phenyl)-phenyl-methanol
CAS Number:
179104-60-0
Molecular Formula:
C15H15NO5
Molecular Weight:
289.2833
IUPAC Name:
(4,5-dimethoxy-2-nitrophenyl)-phenylmethanol
InChI:
InChI=1S/C15H15NO5/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)10-6-4-3-5-7-10/h3-9,15,17H,1-2H3
InChI Key:
KMJVFOOQNYHSOV-UHFFFAOYSA-N
SMILES:
COc1cc(C(c2ccccc2)O)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.287g/mol
Monoisotopic Mass:
289.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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