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Home > Bromides > 1624261-29-5
1624261-29-5 | Benzoic acid, 5-bromo-2-fluoro-3-(methylsulfonyl)-, methyl ester
CAS No: 1624261-29-5 Catalog No: AG001T4Y MDL No:
Product Description
Catalog Number:
AG001T4Y
Chemical Name:
Benzoic acid, 5-bromo-2-fluoro-3-(methylsulfonyl)-, methyl ester
CAS Number:
1624261-29-5
Molecular Formula:
C9H8BrFO4S
Molecular Weight:
311.1248
IUPAC Name:
methyl 5-bromo-2-fluoro-3-methylsulfonylbenzoate
InChI:
InChI=1S/C9H8BrFO4S/c1-15-9(12)6-3-5(10)4-7(8(6)11)16(2,13)14/h3-4H,1-2H3
InChI Key:
DGWAHGFOAXXUQW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1F)S(=O)(=O)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.931g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.121g/mol
Monoisotopic Mass:
309.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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