2-Chloro-5-fluorobenzoic Acid - CAS 2252-50-8
Catalog: |
BB017649 |
Product Name: |
2-Chloro-5-fluorobenzoic Acid |
CAS: |
2252-50-8 |
Synonyms: |
2-chloro-5-fluorobenzoic acid; 2-chloro-5-fluorobenzoic acid |
IUPAC Name: | 2-chloro-5-fluorobenzoic acid |
Description: | 2-Chloro-5-fluorobenzoic Acid (CAS# 2252-50-8) is a useful research chemical. |
Molecular Weight: | 174.56 |
Molecular Formula: | C7H4ClFO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)C(=O)O)Cl |
InChI: | InChI=1S/C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11) |
InChI Key: | MIZKCMSSYVUZKD-UHFFFAOYSA-N |
Boiling Point: | 275.3 °C at 760 mmHg |
Density: | 1.477 g/cm33 |
MDL: | MFCD00156967 |
LogP: | 2.17730 |
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-2020238559-A1 | De-c2-symmetric diphenylamine-type chiral bisoxazoline ligand, synthesis method therefor and use thereof | 20190531 |
JP-2020109086-A | Pharmaceutical composition | 20181228 |
JP-2021102653-A | Pharmaceutical composition | 20181228 |
JP-6868089-B2 | Medicine | 20181228 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9883852 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9883852 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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