Methyl 3-Chloro-4-methyl-5-nitrobenzoate - CAS 1057652-84-2
Catalog: |
BB001710 |
Product Name: |
Methyl 3-Chloro-4-methyl-5-nitrobenzoate |
CAS: |
1057652-84-2 |
Synonyms: |
3-chloro-4-methyl-5-nitrobenzoic acid methyl ester; methyl 3-chloro-4-methyl-5-nitrobenzoate |
IUPAC Name: | methyl 3-chloro-4-methyl-5-nitrobenzoate |
Description: | Methyl 3-Chloro-4-methyl-5-nitrobenzoate (CAS# 1057652-84-2 ) is a useful research chemical. |
Molecular Weight: | 229.62 |
Molecular Formula: | C9H8ClNO4 |
Canonical SMILES: | CC1=C(C=C(C=C1Cl)C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8ClNO4/c1-5-7(10)3-6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3 |
InChI Key: | ZBLLUDZWJWIWIU-UHFFFAOYSA-N |
LogP: | 2.86640 |
Publication Number | Title | Priority Date |
CN-113004252-A | Aryl imidazole derivative and application thereof | 20191220 |
CA-2882879-A1 | Heterocyclic compound | 20120824 |
EP-2889291-A1 | Heterocyclic compound | 20120824 |
US-2015299188-A1 | Heterocyclic compound | 20120824 |
US-2010298324-A1 | Prolyl Hydroxylase Inhibitors | 20071219 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0141854 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0141854 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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