2-phenyl-pyrimidine-5-carboxylic acid - CAS 122773-97-1
Catalog: |
BB005515 |
Product Name: |
2-phenyl-pyrimidine-5-carboxylic acid |
CAS: |
122773-97-1 |
Synonyms: |
2-phenyl-5-pyrimidinecarboxylic acid; 2-phenylpyrimidine-5-carboxylic acid |
IUPAC Name: | 2-phenylpyrimidine-5-carboxylic acid |
Description: | 2-phenyl-pyrimidine-5-carboxylic acid (CAS# 122773-97-1) is a useful research chemical. |
Molecular Weight: | 200.19 |
Molecular Formula: | C11H8N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O |
InChI: | InChI=1S/C11H8N2O2/c14-11(15)9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H,(H,14,15) |
InChI Key: | BOAIYSRFGWBZCF-UHFFFAOYSA-N |
Boiling Point: | 300.7 °C at 760 mmHg |
Melting Point: | 282-284 °C |
Purity: | 95 % |
Density: | 1.302 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00559612 |
LogP: | 1.84180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107108561-A | Heteroaryl compound as IRAK inhibitor and application thereof | 20141120 |
AU-2015308774-A1 | Probes for imaging huntingtin protein | 20140829 |
AU-2015308774-A8 | Probes for imaging huntingtin protein | 20140829 |
AU-2015308774-B2 | Probes for imaging huntingtin protein | 20140829 |
CA-2959501-A1 | Probes for imaging huntingtin protein | 20140829 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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