Methyl 4-Chloro-2,6-dinitrobenzoate - CAS 100418-47-1
Catalog: |
BB000221 |
Product Name: |
Methyl 4-Chloro-2,6-dinitrobenzoate |
CAS: |
100418-47-1 |
Synonyms: |
4-chloro-2,6-dinitrobenzoic acid methyl ester; methyl 4-chloro-2,6-dinitrobenzoate |
IUPAC Name: | methyl 4-chloro-2,6-dinitrobenzoate |
Description: | Methyl 4-Chloro-2,6-dinitrobenzoate (CAS# 100418-47-1 ) is a useful research chemical. |
Molecular Weight: | 260.59 |
Molecular Formula: | C8H5ClN2O6 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5ClN2O6/c1-17-8(12)7-5(10(13)14)2-4(9)3-6(7)11(15)16/h2-3H,1H3 |
InChI Key: | UANMWPWYANJDGT-UHFFFAOYSA-N |
LogP: | 2.98940 |
Publication Number | Title | Priority Date |
AT-394555-B | METHOD FOR PRODUCING NEW IMINOTHIAZOLIDINE DERIVATIVES | 19840425 |
CH-664564-A5 | IMINOTHIAZOLIDINE DERIVATIVES. | 19840425 |
DD-231790-A5 | PROCESS FOR THE PREPARATION OF NEW IMINOTHIAZOLIDERIVATE | 19840425 |
FI-82454-B | FOERFARANDE FOER FRAMSTAELLNING AV TERAPEUTISKT AKTIVA IMINOTIAZOLIDINDERIVAT. | 19840425 |
FI-82454-C | Process for the preparation of therapeutically active iminothiazolidines ivat | 19840425 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.9836136 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.9836136 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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