Home Halogens Benzeneacetic acid, 2-bromo-6-(trifluoromethyl)-

Benzeneacetic acid, 2-bromo-6-(trifluoromethyl)-

CAS No.:
1159512-50-1
Catalog Number:
AG000H6U
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
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Product Description
Catalog Number:
AG000H6U
Chemical Name:
Benzeneacetic acid, 2-bromo-6-(trifluoromethyl)-
CAS Number:
1159512-50-1
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD12026462
IUPAC Name:
2-[2-bromo-6-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6BrF3O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChI Key:
GSWIVMIRRKTEQR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Br)cccc1C(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  
Properties