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Home > Nitro Compounds > 681470-02-0
681470-02-0 | (4,5-Dimethoxy-2-nitro-phenyl)-p-tolyl-methanone
CAS No: 681470-02-0 Catalog No: AG01EWXY MDL No:
Product Description
Catalog Number:
AG01EWXY
Chemical Name:
(4,5-Dimethoxy-2-nitro-phenyl)-p-tolyl-methanone
CAS Number:
681470-02-0
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
(4,5-dimethoxy-2-nitrophenyl)-(4-methylphenyl)methanone
InChI:
InChI=1S/C16H15NO5/c1-10-4-6-11(7-5-10)16(18)12-8-14(21-2)15(22-3)9-13(12)17(19)20/h4-9H,1-3H3
InChI Key:
COTAZRPQPCRGDF-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)c2ccc(cc2)C)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
400
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:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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