3-Chloro-2-methoxybenzoic acid - CAS 3260-93-3
Catalog: |
BB021347 |
Product Name: |
3-Chloro-2-methoxybenzoic acid |
CAS: |
3260-93-3 |
Synonyms: |
3-chloro-2-methoxybenzoic acid |
IUPAC Name: | 3-chloro-2-methoxybenzoic acid |
Description: | 3-Chloro-2-methoxybenzoic acid (CAS# 3260-93-3) is a useful research chemical. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | COC1=C(C=CC=C1Cl)C(=O)O |
InChI: | InChI=1S/C8H7ClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11) |
InChI Key: | NKVUYEGKHRDEBB-UHFFFAOYSA-N |
Boiling Point: | 306.4 °C at 760 mmHg |
Melting Point: | 118-123 °C |
Purity: | 95 % |
Density: | 1.352 g/cm3 |
MDL: | MFCD00179306 |
LogP: | 2.04680 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0083718 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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