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Home > Bromides > 1214339-37-3
1214339-37-3 | Benzeneacetic acid, 3-bromo-α-hydroxy-5-(trifluoromethyl)-
CAS No: 1214339-37-3 Catalog No: AG0014TM MDL No:
Product Description
Catalog Number:
AG0014TM
Chemical Name:
Benzeneacetic acid, 3-bromo-α-hydroxy-5-(trifluoromethyl)-
CAS Number:
1214339-37-3
Molecular Formula:
C9H6BrF3O3
Molecular Weight:
299.0413
IUPAC Name:
2-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
InChI:
InChI=1S/C9H6BrF3O3/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13/h1-3,7,14H,(H,15,16)
InChI Key:
ONDYSDOPVUUHLQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cc(Br)cc(c1)C(F)(F)F)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.945g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.043g/mol
Monoisotopic Mass:
297.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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