4-Amino-2-fluorobenzoic Acid - CAS 446-31-1
Catalog: |
BB025673 |
Product Name: |
4-Amino-2-fluorobenzoic Acid |
CAS: |
446-31-1 |
Synonyms: |
4-amino-2-fluorobenzoic acid; 4-amino-2-fluorobenzoic acid |
IUPAC Name: | 4-amino-2-fluorobenzoic acid |
Description: | 4-Amino-2-fluorobenzoic Acid (CAS# 446-31-1) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | C1=CC(=C(C=C1N)F)C(=O)O |
InChI: | InChI=1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11) |
InChI Key: | QHERSCUZBKDVOC-UHFFFAOYSA-N |
Boiling Point: | 336.1 °C at 760 mmHg |
Density: | 1.43 g/cm3 |
MDL: | MFCD01569397 |
LogP: | 1.68730 |
GHS Hazard Statement: | H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021097256-A1 | Cxcr4 antagonist peptides | 20191114 |
WO-2021081110-A2 | Peptides and use thereof | 20191022 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.03825660 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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