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Home > Nitro Compounds > 163518-08-9
163518-08-9 | Carbonic acid, (4,5-dimethoxy-2-nitrophenyl)methyl 4-nitrophenyl ester
CAS No: 163518-08-9 Catalog No: AG001U63 MDL No:
Product Description
Catalog Number:
AG001U63
Chemical Name:
Carbonic acid, (4,5-dimethoxy-2-nitrophenyl)methyl 4-nitrophenyl ester
CAS Number:
163518-08-9
Molecular Formula:
C16H14N2O9
Molecular Weight:
378.2904
IUPAC Name:
(4,5-dimethoxy-2-nitrophenyl)methyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C16H14N2O9/c1-24-14-7-10(13(18(22)23)8-15(14)25-2)9-26-16(19)27-12-5-3-11(4-6-12)17(20)21/h3-8H,9H2,1-2H3
InChI Key:
ZSZFIWWSSVGQOG-UHFFFAOYSA-N
SMILES:
COc1cc(COC(=O)Oc2ccc(cc2)[N+](=O)[O-])c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.07g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.293g/mol
Monoisotopic Mass:
378.07g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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