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Home > Nitro Compounds > 138610-05-6
138610-05-6 | Ethanedioic acid, 1,2-bis[(4-nitrophenyl)methyl] ester
CAS No: 138610-05-6 Catalog No: AG0018UW MDL No:
Product Description
Catalog Number:
AG0018UW
Chemical Name:
Ethanedioic acid, 1,2-bis[(4-nitrophenyl)methyl] ester
CAS Number:
138610-05-6
Molecular Formula:
C16H12N2O8
Molecular Weight:
360.2751
IUPAC Name:
bis[(4-nitrophenyl)methyl] oxalate
InChI:
InChI=1S/C16H12N2O8/c19-15(25-9-11-1-5-13(6-2-11)17(21)22)16(20)26-10-12-3-7-14(8-4-12)18(23)24/h1-8H,9-10H2
InChI Key:
ZHOUMCBNPVCTMI-UHFFFAOYSA-N
SMILES:
O=C(C(=O)OCc1ccc(cc1)[N+](=O)[O-])OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.059g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.278g/mol
Monoisotopic Mass:
360.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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