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260973-04-4 | Quinoline, 4-bromo-8-methyl-2-(trifluoromethyl)-
CAS No: 260973-04-4 Catalog No: AG002RNK MDL No:MFCD12026047
Product Description
Catalog Number:
AG002RNK
Chemical Name:
Quinoline, 4-bromo-8-methyl-2-(trifluoromethyl)-
CAS Number:
260973-04-4
Molecular Formula:
C11H7BrF3N
Molecular Weight:
290.0792
MDL Number:
MFCD12026047
IUPAC Name:
4-bromo-8-methyl-2-(trifluoromethyl)quinoline
InChI:
InChI=1S/C11H7BrF3N/c1-6-3-2-4-7-8(12)5-9(11(13,14)15)16-10(6)7/h2-5H,1H3
InChI Key:
SCXMBKLFZUGDQN-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc(cc2Br)C(F)(F)F
Properties
Complexity:
256
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:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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