3-Chloro-5-(methoxycarbonyl)benzoic Acid - CAS 153203-57-7
Catalog: |
BB010862 |
Product Name: |
3-Chloro-5-(methoxycarbonyl)benzoic Acid |
CAS: |
153203-57-7 |
Synonyms: |
3-chloro-5-methoxycarbonylbenzoic acid; 3-chloro-5-methoxycarbonylbenzoic acid |
IUPAC Name: | 3-chloro-5-methoxycarbonylbenzoic acid |
Description: | 3-Chloro-5-(methoxycarbonyl)benzoic Acid (CAS# 153203-57-7) is a useful research chemical. |
Molecular Weight: | 214.60 |
Molecular Formula: | C9H7ClO4 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C(=O)O)Cl |
InChI: | InChI=1S/C9H7ClO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12) |
InChI Key: | HLARAVKGVUMKCY-UHFFFAOYSA-N |
Boiling Point: | 372.5 ℃ at 760 mmHg |
Density: | 1.413 g/cm3 |
LogP: | 1.82480 |
Publication Number | Title | Priority Date |
WO-2021165195-A1 | Heteroaryl-triazole compounds as pesticides | 20200218 |
AU-2014267360-A1 | N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors | 20130514 |
AU-2014267360-B2 | N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors | 20130514 |
CA-2912313-A1 | N-(heteroaryl)-sulfonamide derivatives useful as s100-inhibitors | 20130514 |
EA-028512-B1 | N-(heteroaryl)sulfonamide derivatives useful as s100-inhibitors | 20130514 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0032864 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0032864 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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