Home Halogens 2-Amino-3-bromo-5-(trifluoromethoxy)benzoic acid

2-Amino-3-bromo-5-(trifluoromethoxy)benzoic acid

CAS No.:
874774-41-1
Catalog Number:
AG00GULY
Molecular Formula:
C8H5BrF3NO3
Molecular Weight:
300.0294
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Product Description
Catalog Number:
AG00GULY
Chemical Name:
2-Amino-3-bromo-5-(trifluoromethoxy)benzoic acid
CAS Number:
874774-41-1
Molecular Formula:
C8H5BrF3NO3
Molecular Weight:
300.0294
MDL Number:
MFCD03407438
IUPAC Name:
2-amino-3-bromo-5-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H5BrF3NO3/c9-5-2-3(16-8(10,11)12)1-4(6(5)13)7(14)15/h1-2H,13H2,(H,14,15)
InChI Key:
QQAWRUJXYLTDOJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1N)Br)OC(F)(F)F
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.94g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
300.031g/mol
Monoisotopic Mass:
298.94g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties