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1208076-77-0 | 4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid
CAS No: 1208076-77-0 Catalog No: AG01F9QJ MDL No:MFCD12026304
Product Description
Catalog Number:
AG01F9QJ
Chemical Name:
4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid
CAS Number:
1208076-77-0
Molecular Formula:
C8H5BrF3NO2
Molecular Weight:
284.0300
MDL Number:
MFCD12026304
IUPAC Name:
4-amino-5-bromo-2-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H5BrF3NO2/c9-5-1-3(7(14)15)4(2-6(5)13)8(10,11)12/h1-2H,13H2,(H,14,15)
InChI Key:
WXUDGCIRGQCIKP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1C(F)(F)F)N
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:
2.3
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