3-Amino-2,5,6-trifluorobenzoic Acid - CAS 133622-65-8
Catalog: |
BB007784 |
Product Name: |
3-Amino-2,5,6-trifluorobenzoic Acid |
CAS: |
133622-65-8 |
Synonyms: |
3-amino-2,5,6-trifluorobenzoic acid; 3-amino-2,5,6-trifluorobenzoic acid |
IUPAC Name: | 3-amino-2,5,6-trifluorobenzoic acid |
Description: | 3-Amino-2,5,6-trifluorobenzoic Acid (CAS# 133622-65-8) is a useful research chemical. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=C(C(=C(C(=C1F)F)C(=O)O)F)N |
InChI: | InChI=1S/C7H4F3NO2/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,11H2,(H,12,13) |
InChI Key: | FXEMCOVVTSYFRJ-UHFFFAOYSA-N |
Boiling Point: | 320.7 °C at 760 mmHg |
Density: | 1.635 g/cm3 |
MDL: | MFCD00075469 |
LogP: | 1.96550 |
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 |
CN-113462338-A | Stone binder and preparation method thereof | 20210709 |
EP-2606050-A2 | Heterocyclyl pyrazolopyrimidine analogues as selective jak inhibitors | 20100820 |
JP-2013534233-A | Heterocyclylpyrazolopyrimidine analogs as selective JAK inhibitors | 20100820 |
US-2013190292-A1 | Heterocyclyl pyrazolopyrimidine analogues as selective jak inhibitors | 20100820 |
US-9040545-B2 | Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors | 20100820 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.01941286 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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