4-Chloro-6-(trifluoromethyl)quinazoline - CAS 16499-64-2
Catalog: |
BB012158 |
Product Name: |
4-Chloro-6-(trifluoromethyl)quinazoline |
CAS: |
16499-64-2 |
Synonyms: |
4-chloro-6-(trifluoromethyl)quinazoline; 4-chloro-6-(trifluoromethyl)quinazoline |
IUPAC Name: | 4-chloro-6-(trifluoromethyl)quinazoline |
Description: | 4-Chloro-6-(trifluoromethyl)quinazoline (CAS# 16499-64-2) is a useful research chemical. |
Molecular Weight: | 232.59 |
Molecular Formula: | C9H4ClF3N2 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)C(=NC=N2)Cl |
InChI: | InChI=1S/C9H4ClF3N2/c10-8-6-3-5(9(11,12)13)1-2-7(6)14-4-15-8/h1-4H |
InChI Key: | OJNBXNWWYXBHGZ-UHFFFAOYSA-N |
Boiling Point: | 285.8 °C at 760 mmHg |
Density: | 1.496 g/cm3 |
LogP: | 3.30200 |
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 |
US-2020038402-A1 | Substituted quinazoline sulfonamides as thioredoxin interacting protein (txnip) inhibitors | 20171031 |
CN-102952087-A | Quinazoline ring contained ether compound and its use | 20110819 |
CN-102952087-B | Quinazoline ring contained ether compound and its use | 20110819 |
AU-2011268375-A1 | Cyclohexyl-azetidinyl antagonists of CCR2 | 20100617 |
AU-2011268375-B2 | Cyclohexyl-azetidinyl antagonists of CCR2 | 20100617 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.0015103 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.0015103 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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