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127481-99-6 | Quinoline, 2-(bromomethyl)-5-(trifluoromethyl)-
CAS No: 127481-99-6 Catalog No: AG000X42 MDL No:
Product Description
Catalog Number:
AG000X42
Chemical Name:
Quinoline, 2-(bromomethyl)-5-(trifluoromethyl)-
CAS Number:
127481-99-6
Molecular Formula:
C11H7BrF3N
Molecular Weight:
290.0792
IUPAC Name:
2-(bromomethyl)-5-(trifluoromethyl)quinoline
InChI:
InChI=1S/C11H7BrF3N/c12-6-7-4-5-8-9(11(13,14)15)2-1-3-10(8)16-7/h1-5H,6H2
InChI Key:
DMCYBCBDZQOCCE-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(n1)cccc2C(F)(F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.083g/mol
Monoisotopic Mass:
288.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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