2-Fluoro-3-nitrobenzoic Acid - CAS 317-46-4
Catalog: |
BB021046 |
Product Name: |
2-Fluoro-3-nitrobenzoic Acid |
CAS: |
317-46-4 |
Synonyms: |
2-fluoro-3-nitrobenzoic acid; 2-fluoro-3-nitrobenzoic acid |
IUPAC Name: | 2-fluoro-3-nitrobenzoic acid |
Description: | 2-Fluoro-3-nitrobenzoic Acid (CAS# 317-46-4) is used in preparation of bifunctional Heterocycles and their use in targeted degrdn. of RAF polypeptides. |
Molecular Weight: | 185.11 |
Molecular Formula: | C7H4FNO4 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])F)C(=O)O |
InChI: | InChI=1S/C7H4FNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11) |
InChI Key: | WLGUSLGYTNJJFV-UHFFFAOYSA-N |
Boiling Point: | 404.6 °C at 760 mmHg |
Density: | 1.52 g/cm3 |
MDL: | MFCD06797825 |
LogP: | 1.95530 |
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-113501807-A | Tetrahydrobenzothiophene compound, and preparation method and application of pharmaceutical composition | 20210610 |
CN-113024384-A | Synthesis method of 2-fluoro-3-nitrobenzoic acid intermediate raw material | 20210316 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
WO-2021170109-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20200226 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
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: | 1.3 |
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