4-Chloro-7-(trifluoromethoxy)quinazoline - CAS 1160994-87-5
Catalog: |
BB003712 |
Product Name: |
4-Chloro-7-(trifluoromethoxy)quinazoline |
CAS: |
1160994-87-5 |
Synonyms: |
4-chloro-7-(trifluoromethoxy)quinazoline; 4-chloro-7-(trifluoromethoxy)quinazoline |
IUPAC Name: | 4-chloro-7-(trifluoromethoxy)quinazoline |
Description: | 4-Chloro-7-(trifluoromethoxy)quinazoline (CAS# 1160994-87-5 ) is a useful research chemical. |
Molecular Weight: | 248.59 |
Molecular Formula: | C9H4ClF3N2O |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)(F)F)N=CN=C2Cl |
InChI: | InChI=1S/C9H4ClF3N2O/c10-8-6-2-1-5(16-9(11,12)13)3-7(6)14-4-15-8/h1-4H |
InChI Key: | YSAWRQYKZHJVDJ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
LogP: | 3.18180 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.9964249 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.9964249 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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