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1000775-18-7 | Acetic acid, 2,2,2-trifluoro-, 6-quinolinyl ester
CAS No: 1000775-18-7 Catalog No: AG0000TM MDL No:
Product Description
Catalog Number:
AG0000TM
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, 6-quinolinyl ester
CAS Number:
1000775-18-7
Molecular Formula:
C11H6F3NO2
Molecular Weight:
241.1660
IUPAC Name:
quinolin-6-yl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C11H6F3NO2/c12-11(13,14)10(16)17-8-3-4-9-7(6-8)2-1-5-15-9/h1-6H
InChI Key:
VSHPSUYOQMHUET-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Oc1ccc2c(c1)cccn2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.169g/mol
Monoisotopic Mass:
241.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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