3-Fluoro-4-iodobenzoic acid - CAS 825-98-9
Catalog: |
BB036863 |
Product Name: |
3-Fluoro-4-iodobenzoic acid |
CAS: |
825-98-9 |
Synonyms: |
3-fluoro-4-iodobenzoic acid; 3-fluoro-4-iodobenzoic acid |
IUPAC Name: | 3-fluoro-4-iodobenzoic acid |
Description: | 3-Fluoro-4-iodobenzoic acid (CAS# 825-98-9) is a useful research chemical. |
Molecular Weight: | 266.01 |
Molecular Formula: | C7H4FIO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)F)I |
InChI: | InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
InChI Key: | KPMBAMKKTJSICO-UHFFFAOYSA-N |
Boiling Point: | 318.5 °C at 760 mmHg |
Density: | 2.074 g/cm3 |
MDL: | MFCD07774250 |
LogP: | 2.12850 |
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-111285873-A | RET inhibitors, pharmaceutical compositions thereof and uses thereof | 20181207 |
CN-111285874-A | RET inhibitors, pharmaceutical compositions thereof and uses thereof | 20181207 |
WO-2020114487-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
WO-2020114494-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
EP-3891148-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.92401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.92401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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