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853017-60-4 | 2-Bromo-6-trifluoromethylnaphthalene
CAS No: 853017-60-4 Catalog No: AG01EXSI MDL No:MFCD18410849
Product Description
Catalog Number:
AG01EXSI
Chemical Name:
2-Bromo-6-trifluoromethylnaphthalene
CAS Number:
853017-60-4
Molecular Formula:
C11H6BrF3
Molecular Weight:
275.0645
MDL Number:
MFCD18410849
IUPAC Name:
2-bromo-6-(trifluoromethyl)naphthalene
InChI:
InChI=1S/C11H6BrF3/c12-10-4-2-7-5-9(11(13,14)15)3-1-8(7)6-10/h1-6H
InChI Key:
QAPILDOVQQYRIG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(c2)C(F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.96g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.068g/mol
Monoisotopic Mass:
273.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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