Home Halogens 2-amino-4-bromo-3-(trifluoromethyl)benzoic acid

2-amino-4-bromo-3-(trifluoromethyl)benzoic acid

CAS No.:
1805624-14-9
Catalog Number:
AG01ELNE
Molecular Formula:
C8H5BrF3NO2
Molecular Weight:
284.0300
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Product Description
Catalog Number:
AG01ELNE
Chemical Name:
2-amino-4-bromo-3-(trifluoromethyl)benzoic acid
CAS Number:
1805624-14-9
Molecular Formula:
C8H5BrF3NO2
Molecular Weight:
284.0300
MDL Number:
MFCD28719644
IUPAC Name:
2-amino-4-bromo-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H5BrF3NO2/c9-4-2-1-3(7(14)15)6(13)5(4)8(10,11)12/h1-2H,13H2,(H,14,15)
InChI Key:
NRXLWROYVUDNPL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1N)C(F)(F)F)Br
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.946g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.032g/mol
Monoisotopic Mass:
282.946g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties