6-Amino-2-chloro-3-fluorobenzoic Acid - CAS 681459-97-2
Catalog: |
BB033481 |
Product Name: |
6-Amino-2-chloro-3-fluorobenzoic Acid |
CAS: |
681459-97-2 |
Synonyms: |
6-amino-2-chloro-3-fluorobenzoic acid; 6-amino-2-chloro-3-fluorobenzoic acid |
IUPAC Name: | 6-amino-2-chloro-3-fluorobenzoic acid |
Description: | 6-Amino-2-chloro-3-fluorobenzoic Acid (CAS# 681459-97-2) is a useful research chemical. |
Molecular Weight: | 189.57 |
Molecular Formula: | C7H5ClFNO2 |
Canonical SMILES: | C1=CC(=C(C(=C1N)C(=O)O)Cl)F |
InChI: | InChI=1S/C7H5ClFNO2/c8-6-3(9)1-2-4(10)5(6)7(11)12/h1-2H,10H2,(H,11,12) |
InChI Key: | FXHGYJZVTVDARS-UHFFFAOYSA-N |
LogP: | 2.34070 |
Publication Number | Title | Priority Date |
CN-112194659-A | Alkyne derivative and preparation method and application thereof | 20190708 |
WO-2021004421-A1 | Alkyne derivative, preparation method for same, and uses thereof | 20190708 |
US-2019308978-A1 | Imidazopiperazinone inhibitors of transcription activating proteins | 20180406 |
WO-2019195846-A1 | Imidazopiperazinone inhibitors of transcription activating proteins | 20180406 |
US-10899769-B2 | Imidazopiperazinone inhibitors of transcription activating proteins | 20180406 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.9992843 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.9992843 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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