3-Chloro-5-methoxybenzoic acid - CAS 82477-67-6
Catalog: |
BB036842 |
Product Name: |
3-Chloro-5-methoxybenzoic acid |
CAS: |
82477-67-6 |
Synonyms: |
3-chloro-5-methoxybenzoic acid |
IUPAC Name: | 3-chloro-5-methoxybenzoic acid |
Description: | 3-Chloro-5-methoxybenzoic acid (CAS# 82477-67-6) is a useful research chemical. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)O)Cl |
InChI: | InChI=1S/C8H7ClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11) |
InChI Key: | RRVHCVOVXPMKGF-UHFFFAOYSA-N |
Boiling Point: | 323.134 ℃ub>15NO5 |
Melting Point: | 172-176 ℃ |
Purity: | 95 % |
Density: | 1.353 g/cm3 |
Appearance: | White to tan crystal or powder |
MDL: | MFCD01317994 |
LogP: | 2.04680 |
GHS Hazard Statement: | H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
WO-2020065614-A1 | 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: | 2.8 |
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