tert-Butyl 6-Chloro-2-(dibromomethyl)quinoline-4-carboxylate - CAS 1015856-21-9
Catalog: |
BB070911 |
Product Name: |
tert-Butyl 6-Chloro-2-(dibromomethyl)quinoline-4-carboxylate |
CAS: |
1015856-21-9 |
Synonyms: |
TERT-BUTYL 6-CHLORO-2-(DIBROMOMETHYL)QUINOLINE-4-CARBOXYLATE;TERT-BUTYL6-CHLORO-2-(DIBROMOMETHYL)QUINOLINE-4-CARBOXYLATE |
IUPAC Name: | tert-butyl 6-chloro-2-(dibromomethyl)quinoline-4-carboxylate |
Molecular Weight: | 435.53 |
Molecular Formula: | C15H14NO2ClBr2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C(Br)Br |
InChI: | InChI=1S/C15H14Br2ClNO2/c1-15(2,3)21-14(20)10-7-12(13(16)17)19-11-5-4-8(18)6-9(10)11/h4-7,13H,1-3H3 |
InChI Key: | QVQDSGDBXDSPDH-UHFFFAOYSA-N |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 434.90593 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 432.90798 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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