4,5-Difluorophthalic Acid - CAS 18959-31-4
Catalog: |
BB014641 |
Product Name: |
4,5-Difluorophthalic Acid |
CAS: |
18959-31-4 |
Synonyms: |
4,5-difluorophthalic acid; 4,5-difluorophthalic acid |
IUPAC Name: | 4,5-difluorophthalic acid |
Description: | 4,5-Difluorophthalic Acid (CAS# 18959-31-4) is a useful research chemical. |
Molecular Weight: | 202.11 |
Molecular Formula: | C8H4F2O4 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H4F2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14) |
InChI Key: | FFSBOABNRUJQFW-UHFFFAOYSA-N |
Boiling Point: | 378.7 °C at 760 mmHg |
Density: | 1.644 g/cm3 |
MDL: | MFCD00077514 |
LogP: | 1.36120 |
Publication Number | Title | Priority Date |
CN-112707807-A | Preparation method of 4, 5-difluorophthalic acid | 20201209 |
CN-112457180-A | Preparation method of aromatic dicarboxylic acid derivative | 20201106 |
CN-111470961-A | Efficient synthesis method of halogenated 1, 3-indene diketone compounds | 20200414 |
WO-2021204185-A1 | Benzo[d]azepine derivative as inhibitor of aggrecanase-2, preparation method therefor, and pharmaceutical use thereof | 20200410 |
WO-2021191240-A1 | Combination therapy | 20200324 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.00776493 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.00776493 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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