2,4-Difluoro-5-nitrobenzoic Acid - CAS 153775-33-8
Catalog: |
BB010933 |
Product Name: |
2,4-Difluoro-5-nitrobenzoic Acid |
CAS: |
153775-33-8 |
Synonyms: |
2,4-difluoro-5-nitrobenzoic acid; 2,4-difluoro-5-nitrobenzoic acid |
IUPAC Name: | 2,4-difluoro-5-nitrobenzoic acid |
Description: | 2,4-Difluoro-5-nitrobenzoic Acid (CAS# 153775-33-8) is a useful research chemical. |
Molecular Weight: | 203.10 |
Molecular Formula: | C7H3F2NO4 |
Canonical SMILES: | C1=C(C(=CC(=C1[N+](=O)[O-])F)F)C(=O)O |
InChI: | InChI=1S/C7H3F2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12) |
InChI Key: | MDFSGDMPHMKKGB-UHFFFAOYSA-N |
Boiling Point: | 344.4 °C at 760 mmHg |
Density: | 1.661 g/cm3 |
MDL: | MFCD04115713 |
LogP: | 2.09440 |
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-111423422-A | Aryl amide inhibitor and preparation method and application thereof | 20190109 |
WO-2020143385-A1 | Arylamide inhibitor, preparation method therefor and application thereof | 20190109 |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
WO-2020097408-A1 | Acly inhibitors and uses thereof | 20181109 |
AU-2016250519-A1 | Compounds and their use as BACE1 inhibitors | 20150421 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.00301390 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.00301390 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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