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Home > Bromides > 1026962-68-4
1026962-68-4 | Benzoic acid, 6-bromo-2-fluoro-3-(trifluoromethyl)-
CAS No: 1026962-68-4 Catalog No: AG000856 MDL No:MFCD21365092
Product Description
Catalog Number:
AG000856
Chemical Name:
Benzoic acid, 6-bromo-2-fluoro-3-(trifluoromethyl)-
CAS Number:
1026962-68-4
Molecular Formula:
C8H3BrF4O2
Molecular Weight:
287.0058
MDL Number:
MFCD21365092
IUPAC Name:
6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3BrF4O2/c9-4-2-1-3(8(11,12)13)6(10)5(4)7(14)15/h1-2H,(H,14,15)
InChI Key:
IFMFJFGMOSTGLZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)ccc(c1F)C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.925g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.008g/mol
Monoisotopic Mass:
285.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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