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Home > Nitro Compounds > 69511-77-9
69511-77-9 | 1-(4,5-Dimethoxy-2-nitro-phenyl)-2-phenyl-ethanone
CAS No: 69511-77-9 Catalog No: AG01EWZZ MDL No:
Product Description
Catalog Number:
AG01EWZZ
Chemical Name:
1-(4,5-Dimethoxy-2-nitro-phenyl)-2-phenyl-ethanone
CAS Number:
69511-77-9
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
1-(4,5-dimethoxy-2-nitrophenyl)-2-phenylethanone
InChI:
InChI=1S/C16H15NO5/c1-21-15-9-12(13(17(19)20)10-16(15)22-2)14(18)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChI Key:
QYPZLBYZPDFMBS-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)Cc2ccccc2)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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