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Home > Bromides > 1805551-93-2
1805551-93-2 | Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, ethyl ester
CAS No: 1805551-93-2 Catalog No: AG00223N MDL No:
Product Description
Catalog Number:
AG00223N
Chemical Name:
Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, ethyl ester
CAS Number:
1805551-93-2
Molecular Formula:
C9H8BrFO3
Molecular Weight:
263.0604
IUPAC Name:
ethyl 4-bromo-2-fluoro-6-hydroxybenzoate
InChI:
InChI=1S/C9H8BrFO3/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4,12H,2H2,1H3
InChI Key:
XJAMHBHDOMTOPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)cc(cc1F)Br
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.062g/mol
Monoisotopic Mass:
261.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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