4,5-Difluoro-2-iodobenzoic Acid - CAS 130137-05-2
Catalog: |
BB007052 |
Product Name: |
4,5-Difluoro-2-iodobenzoic Acid |
CAS: |
130137-05-2 |
Synonyms: |
4,5-difluoro-2-iodobenzoic acid; 4,5-difluoro-2-iodobenzoic acid |
IUPAC Name: | 4,5-difluoro-2-iodobenzoic acid |
Description: | 4,5-Difluoro-2-iodobenzoic Acid (CAS# 130137-05-2) is a useful research chemical. |
Molecular Weight: | 284.00 |
Molecular Formula: | C7H3F2IO2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)I)C(=O)O |
InChI: | InChI=1S/C7H3F2IO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12) |
InChI Key: | NHXDCVFTXJVUGK-UHFFFAOYSA-N |
Boiling Point: | 305.7 °C at 760 mmHg |
Density: | 2.144 g/cm3 |
Appearance: | White powder |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 2.26760 |
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-2021127356-A1 | Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same | 20191220 |
US-2020331881-A1 | Dihydroorotate dehydrogenase inhibitors | 20190417 |
WO-2020212897-A1 | Dihydroorotate dehydrogenase inhibitors | 20190417 |
TW-202104207-A | Dihydroorotate dehydrogenase inhibitors | 20190417 |
WO-2020161663-A1 | Dihydroorotate dehydrogenase inhibitors | 20190207 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.91458 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.91458 |
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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