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Home > Bromides > 1805589-29-0
1805589-29-0 | Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-
CAS No: 1805589-29-0 Catalog No: AG00223E MDL No:MFCD28738979
Product Description
Catalog Number:
AG00223E
Chemical Name:
Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-
CAS Number:
1805589-29-0
Molecular Formula:
C7H4BrFO3
Molecular Weight:
235.0073
MDL Number:
MFCD28738979
IUPAC Name:
4-bromo-2-fluoro-6-hydroxybenzoic acid
InChI:
InChI=1S/C7H4BrFO3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10H,(H,11,12)
InChI Key:
UVBFBKRMQUEMBG-UHFFFAOYSA-N
SMILES:
Brc1cc(O)c(c(c1)F)C(=O)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.933g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.008g/mol
Monoisotopic Mass:
233.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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