3-Chloro-4,5-dimethoxybenzoic acid - CAS 20624-87-7
Catalog: |
BB016108 |
Product Name: |
3-Chloro-4,5-dimethoxybenzoic acid |
CAS: |
20624-87-7 |
Synonyms: |
3-chloro-4,5-dimethoxybenzoic acid |
IUPAC Name: | 3-chloro-4,5-dimethoxybenzoic acid |
Description: | 3-Chloro-4,5-dimethoxybenzoic acid (CAS# 20624-87-7) is a useful research chemical. |
Molecular Weight: | 216.62 |
Molecular Formula: | C9H9ClO4 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C(=O)O)Cl)OC |
InChI: | InChI=1S/C9H9ClO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12) |
InChI Key: | WUBQRSNEXSSLFX-UHFFFAOYSA-N |
Boiling Point: | 328.5 ℃ at 760 mmHg |
Density: | 1.337 g/cm3 |
Appearance: | White to off-white solid, powder or crystals |
MDL: | MFCD05263734 |
LogP: | 2.05540 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2014275088-A1 | Small molecule malarial aldolase-trap enhancers and glideosome inhibitors | 20111025 |
US-9873661-B2 | Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors | 20111025 |
WO-2013063243-A1 | Small molecule malarial aldolase-trap enhancers and glideosome inhibitors | 20111025 |
EP-2557082-A1 | Cephem compound having catechol group | 20100405 |
US-2013102583-A1 | Cephem compound having catechol group | 20100405 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0189365 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0189365 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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