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Home > Bromides > 1965304-84-0
1965304-84-0 | 4-Bromo-3-methylphenyl 2,2,2-trifluoroacetate
CAS No: 1965304-84-0 Catalog No: AG01FAH0 MDL No:MFCD28396356
Product Description
Catalog Number:
AG01FAH0
Chemical Name:
4-Bromo-3-methylphenyl 2,2,2-trifluoroacetate
CAS Number:
1965304-84-0
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD28396356
IUPAC Name:
(4-bromo-3-methylphenyl) 2,2,2-trifluoroacetate
InChI:
InChI=1S/C9H6BrF3O2/c1-5-4-6(2-3-7(5)10)15-8(14)9(11,12)13/h2-4H,1H3
InChI Key:
OTVVCPVVNRFBCA-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Oc1ccc(c(c1)C)Br
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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