2,3-difluoro-4-hydroxybenzoic acid - CAS 175968-39-5
Catalog: |
BB013187 |
Product Name: |
2,3-difluoro-4-hydroxybenzoic acid |
CAS: |
175968-39-5 |
Synonyms: |
2,3-difluoro-4-hydroxybenzoic acid; 2,3-difluoro-4-hydroxybenzoic acid |
IUPAC Name: | 2,3-difluoro-4-hydroxybenzoic acid |
Description: | 2,3-difluoro-4-hydroxybenzoic acid (CAS# 175968-39-5) is a useful research chemical. |
Molecular Weight: | 174.10 |
Molecular Formula: | C7H4F2O3 |
Canonical SMILES: | C1=CC(=C(C(=C1C(=O)O)F)F)O |
InChI: | InChI=1S/C7H4F2O3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2,10H,(H,11,12) |
InChI Key: | XIZIDHMVDRRFBT-UHFFFAOYSA-N |
Boiling Point: | 450.2 ℃ at 760 mmHg |
Melting Point: | 210-211 ℃ |
Purity: | 98 % |
Density: | 1.273 g/cm3 |
MDL: | MFCD01321116 |
LogP: | 1.36860 |
GHS Hazard Statement: | H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019177996-A1 | Bicyclic ror-gamma modulators | 20180312 |
WO-2019177997-A1 | Spirocyclic ror-gamma modulators | 20180312 |
AU-2019234541-A1 | Spirocyclic ROR-gamma modulators | 20180312 |
BR-112020018718-A2 | SPIROCYCLIC ROR-GAMMA MODULATORS | 20180312 |
CN-112118841-A | Spirocyclic ROR-gamma modulators | 20180312 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.01285031 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.01285031 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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