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145132-97-4 | Benzoic acid, 3-bromo-2-hydroxy-5-(trifluoromethyl)-
CAS No: 145132-97-4 Catalog No: AG001KMC MDL No:
Product Description
Catalog Number:
AG001KMC
Chemical Name:
Benzoic acid, 3-bromo-2-hydroxy-5-(trifluoromethyl)-
CAS Number:
145132-97-4
Molecular Formula:
C8H4BrF3O3
Molecular Weight:
285.0148
IUPAC Name:
3-bromo-2-hydroxy-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4BrF3O3/c9-5-2-3(8(10,11)12)1-4(6(5)13)7(14)15/h1-2,13H,(H,14,15)
InChI Key:
FMDNFPQUHIBZEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1O)Br)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:
283.93g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.016g/mol
Monoisotopic Mass:
283.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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