1-(4-Chlorophenyl)pyrazole-3-carboxylic Acid - CAS 19532-40-2
Catalog: |
BB015124 |
Product Name: |
1-(4-Chlorophenyl)pyrazole-3-carboxylic Acid |
CAS: |
19532-40-2 |
Synonyms: |
1-(4-chlorophenyl)-3-pyrazolecarboxylic acid; 1-(4-chlorophenyl)pyrazole-3-carboxylic acid |
IUPAC Name: | 1-(4-chlorophenyl)pyrazole-3-carboxylic acid |
Description: | 1-(4-Chlorophenyl)pyrazole-3-carboxylic Acid (CAS# 19532-40-2) is a useful research chemical. |
Molecular Weight: | 222.63 |
Molecular Formula: | C10H7ClN2O2 |
Canonical SMILES: | C1=CC(=CC=C1N2C=CC(=N2)C(=O)O)Cl |
InChI: | InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15/h1-6H,(H,14,15) |
InChI Key: | DMRHUSUJIBVOKA-UHFFFAOYSA-N |
LogP: | 2.22390 |
Publication Number | Title | Priority Date |
US-2014154502-A1 | Surface layer | 20121130 |
US-9334335-B2 | Surface layer | 20121130 |
AU-2013352304-A1 | CXCR7 antagonists | 20121129 |
CA-2892042-A1 | Cxcr7 antagonists | 20121129 |
DK-2925745-T3 | CXCR7 antagonists | 20121129 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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