2-(3-Fluorophenyl)cyclopropanecarboxylic Acid - CAS 1157561-41-5
Catalog: |
BB003620 |
Product Name: |
2-(3-Fluorophenyl)cyclopropanecarboxylic Acid |
CAS: |
1157561-41-5 |
Synonyms: |
2-(3-fluorophenyl)-1-cyclopropanecarboxylic acid; 2-(3-fluorophenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 2-(3-fluorophenyl)cyclopropane-1-carboxylic acid |
Description: | 2-(3-Fluorophenyl)cyclopropanecarboxylic Acid (CAS# 1157561-41-5) is used as a reactant in the preparation of N-acyl-4-(heterocyclylaminomethyl)piperidines as NMDA/NR2B antagonists. |
Molecular Weight: | 180.18 |
Molecular Formula: | C10H9FO2 |
Canonical SMILES: | C1C(C1C(=O)O)C2=CC(=CC=C2)F |
InChI: | InChI=1S/C10H9FO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13) |
InChI Key: | WRSJNCVKPWFCPM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.01380 |
Publication Number | Title | Priority Date |
CN-109589325-A | A kind of pharmaceutical composition and preparation method thereof for treating enteritis | 20190219 |
CN-109589325-B | A kind of pharmaceutical composition and preparation method thereof for treating enteritis | 20190219 |
EP-3394044-A1 | Tank-binding kinase inhibitor compounds | 20151217 |
KR-20180094976-A | TANK-conjugated kinase inhibitor compound | 20151217 |
US-10316049-B2 | Tank-binding kinase inhibitor compounds | 20151217 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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