Methyl 2,6-Dinitrobenzoate - CAS 42087-82-1
Catalog: |
BB025038 |
Product Name: |
Methyl 2,6-Dinitrobenzoate |
CAS: |
42087-82-1 |
Synonyms: |
2,6-dinitrobenzoic acid methyl ester; methyl 2,6-dinitrobenzoate |
IUPAC Name: | methyl 2,6-dinitrobenzoate |
Description: | Methyl 2,6-Dinitrobenzoate (CAS# 42087-82-1 ) is a useful research chemical. |
Molecular Weight: | 226.14 |
Molecular Formula: | C8H6N2O6 |
Canonical SMILES: | COC(=O)C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O6/c1-16-8(11)7-5(9(12)13)3-2-4-6(7)10(14)15/h2-4H,1H3 |
InChI Key: | YZRFTJSIVVNRMI-UHFFFAOYSA-N |
Boiling Point: | 323 ℃ at 760 mmHg |
Density: | 1.497 g/cm3 |
LogP: | 2.33600 |
Publication Number | Title | Priority Date |
JP-H10251239-A | New 4H-3,1-benzoxazin-4-one derivatives | 19970314 |
US-4126617-A | DI-Tham salt of 10-cl,1,4,6,9 tetrahydro-5-methyl 4,6 dioxopyrido[3,2-g]quinoline-2,8-dicarboxylate | 19741211 |
US-4089973-A | Cyano phenylene dioxamic acid compounds used in the treatment of allergy | 19730726 |
US-4095028-A | Substituted dioxamic acid esters | 19730726 |
US-3993679-A | Cyano phenylene dioxamic molecules | 19721220 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.02258592 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.02258592 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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