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833484-77-8 | Benzoic acid, 4-[(2-bromo-5-fluorophenyl)methoxy]-, methyl ester
CAS No: 833484-77-8 Catalog No: AG0055LT MDL No:
Product Description
Catalog Number:
AG0055LT
Chemical Name:
Benzoic acid, 4-[(2-bromo-5-fluorophenyl)methoxy]-, methyl ester
CAS Number:
833484-77-8
Molecular Formula:
C15H12BrFO3
Molecular Weight:
339.1564
IUPAC Name:
methyl 4-[(2-bromo-5-fluorophenyl)methoxy]benzoate
InChI:
InChI=1S/C15H12BrFO3/c1-19-15(18)10-2-5-13(6-3-10)20-9-11-8-12(17)4-7-14(11)16/h2-8H,9H2,1H3
InChI Key:
AMSTZESWRNZYRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OCc1cc(F)ccc1Br
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.995g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.16g/mol
Monoisotopic Mass:
337.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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