3-chloro-2-fluorophenylacetic acid - CAS 261762-96-3
Catalog: |
BB019170 |
Product Name: |
3-chloro-2-fluorophenylacetic acid |
CAS: |
261762-96-3 |
Synonyms: |
2-(3-chloro-2-fluorophenyl)acetic acid; 2-(3-chloro-2-fluorophenyl)acetic acid |
IUPAC Name: | 2-(3-chloro-2-fluorophenyl)acetic acid |
Description: | 3-chloro-2-fluorophenylacetic acid (CAS# 261762-96-3) is a useful research chemical. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6ClFO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)F)CC(=O)O |
InChI: | InChI=1S/C8H6ClFO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | LBGHWXGWKTZILK-UHFFFAOYSA-N |
Boiling Point: | 296.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.417 g/cm3 |
MDL: | MFCD01631554 |
LogP: | 2.10620 |
GHS Hazard Statement: | H302 (16.67%): 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-2021170886-A2 | Electronic device | 20200806 |
WO-2021147974-A1 | Novel heterocyclic compounds useful as aurora a selective inhibitors | 20200122 |
WO-2021098732-A1 | 1',2'-dihydro-3'h-spiro[cyclobutane 1,4'-isoquinoline]-3'-one derivative and application thereof | 20191118 |
WO-2020229968-A1 | Non-lysosomal glucosylceramidase inhibitors and uses thereof | 20190510 |
TW-202010742-A | Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors | 20180406 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0040353 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0040353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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