3-Fluoro-2-nitrobenzoic Acid - CAS 1000339-51-4
Catalog: |
BB000009 |
Product Name: |
3-Fluoro-2-nitrobenzoic Acid |
CAS: |
1000339-51-4 |
Synonyms: |
3-fluoro-2-nitrobenzoic acid; 3-fluoro-2-nitrobenzoic acid |
IUPAC Name: | 3-fluoro-2-nitrobenzoic acid |
Description: | 3-Fluoro-2-nitrobenzoic Acid (CAS# 1000339-51-4) is a useful research chemical. |
Molecular Weight: | 185.11 |
Molecular Formula: | C7H4FNO4 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11) |
InChI Key: | DTGONJAUUOWYGB-UHFFFAOYSA-N |
Boiling Point: | 354.2 °C at 760 mmHg |
Density: | 1.568 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD07368342 |
LogP: | 1.95530 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021126999-A1 | Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor | 20191217 |
CN-110357892-A | Tetrahydropyrimidine simultaneously [1,2-a] indole derivatives and its synthetic method and application | 20190710 |
WO-2019191327-A1 | Ox2r compounds | 20180327 |
EP-3773566-A1 | Ox2r compounds | 20180327 |
US-2021107914-A1 | OX2R Compounds | 20180327 |
PMID | Publication Date | Title | Journal |
11846667 | 20020222 | Head-to-backbone cyclization of peptides on solid support by nucleophilic aromatic substitution | The Journal of organic chemistry |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.01243577 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.01243577 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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