Methyl 3-Fluoro-5-hydroxybenzoate - CAS 1072004-32-0
Catalog: |
BB001994 |
Product Name: |
Methyl 3-Fluoro-5-hydroxybenzoate |
CAS: |
1072004-32-0 |
Synonyms: |
3-fluoro-5-hydroxybenzoic acid methyl ester; methyl 3-fluoro-5-hydroxybenzoate |
IUPAC Name: | methyl 3-fluoro-5-hydroxybenzoate |
Description: | Methyl 3-Fluoro-5-hydroxybenzoate (CAS# 1072004-32-0) is a useful research chemical. |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)F)O |
InChI: | InChI=1S/C8H7FO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3 |
InChI Key: | DIIVOKPOASIMNV-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.31790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021026179-A1 | AGONISTS OF ROR GAMMAt | 20190806 |
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: | 170.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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