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828939-08-8 | Quinoline, 3-chloro-1,2,3,4-tetrahydro-2,2-dimethyl-1-(trifluoroacetyl)-
CAS No: 828939-08-8 Catalog No: AG004VCB MDL No:
Product Description
Catalog Number:
AG004VCB
Chemical Name:
Quinoline, 3-chloro-1,2,3,4-tetrahydro-2,2-dimethyl-1-(trifluoroacetyl)-
CAS Number:
828939-08-8
Molecular Formula:
C13H13ClF3NO
Molecular Weight:
291.6966
IUPAC Name:
1-(3-chloro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H13ClF3NO/c1-12(2)10(14)7-8-5-3-4-6-9(8)18(12)11(19)13(15,16)17/h3-6,10H,7H2,1-2H3
InChI Key:
ZUXXYKOQUXDGHJ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1c2ccccc2CC(C1(C)C)Cl
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.698g/mol
Monoisotopic Mass:
291.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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