Home Halogens Benzoic acid, 2-bromo-3-(trifluoromethoxy)-

Benzoic acid, 2-bromo-3-(trifluoromethoxy)-

CAS No.:
1159512-46-5
Catalog Number:
AG000H6W
Molecular Formula:
C8H4BrF3O3
Molecular Weight:
285.0148
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Product Description
Catalog Number:
AG000H6W
Chemical Name:
Benzoic acid, 2-bromo-3-(trifluoromethoxy)-
CAS Number:
1159512-46-5
Molecular Formula:
C8H4BrF3O3
Molecular Weight:
285.0148
MDL Number:
MFCD12026457
IUPAC Name:
2-bromo-3-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4BrF3O3/c9-6-4(7(13)14)2-1-3-5(6)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key:
UKHNIKRLAWTOLT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Br)OC(F)(F)F
Properties
Complexity:
244  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
285.016g/mol
Monoisotopic Mass:
283.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties