3-Fluoro-4-nitrobenzoic Acid - CAS 403-21-4
Catalog: |
BB024452 |
Product Name: |
3-Fluoro-4-nitrobenzoic Acid |
CAS: |
403-21-4 |
Synonyms: |
3-fluoro-4-nitrobenzoic acid; 3-fluoro-4-nitrobenzoic acid |
IUPAC Name: | 3-fluoro-4-nitrobenzoic acid |
Description: | 3-Fluoro-4-nitrobenzoic Acid (CAS# 403-21-4) is used in the synthesis of ABT-072, a non-nucleoside HCV NS5B polymerase inhibitor. |
Molecular Weight: | 185.11 |
Molecular Formula: | C7H4FNO4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11) |
InChI Key: | WVZBIQSKLXJFNX-UHFFFAOYSA-N |
Boiling Point: | 372.8 °C at 760 mmHg |
Density: | 1.568 g/cm3 |
MDL: | MFCD01862092 |
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-113185451-A | Memantine urea derivative and preparation method and application thereof | 20210428 |
CN-112266328-A | Synthetic route and preparation method of 3-fluoro-4-nitrobenzaldehyde | 20201209 |
CN-111518031-A | Hydroxamic acid-containing compound and preparation method and application thereof | 20200529 |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
WO-2021178907-A1 | Stat inhibitory compounds and compositions | 20200305 |
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: | 1.9 |
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