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Home > Bromides > 1965305-09-2
1965305-09-2 | 3-Bromo-5-(2,2,2-trifluoroethyl)benzoic acid
CAS No: 1965305-09-2 Catalog No: AG01FARF MDL No:MFCD28396352
Product Description
Catalog Number:
AG01FARF
Chemical Name:
3-Bromo-5-(2,2,2-trifluoroethyl)benzoic acid
CAS Number:
1965305-09-2
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD28396352
IUPAC Name:
3-bromo-5-(2,2,2-trifluoroethyl)benzoic acid
InChI:
InChI=1S/C9H6BrF3O2/c10-7-2-5(4-9(11,12)13)1-6(3-7)8(14)15/h1-3H,4H2,(H,14,15)
InChI Key:
XRXWIZOUKUHCQL-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(=O)O)CC(F)(F)F
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:
1
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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