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537658-08-5 | Methyl 3,5-dibromo-2-fluorobenzoate
CAS No: 537658-08-5 Catalog No: AG01FE0E MDL No:
Product Description
Catalog Number:
AG01FE0E
Chemical Name:
Methyl 3,5-dibromo-2-fluorobenzoate
CAS Number:
537658-08-5
Molecular Formula:
C8H5Br2FO2
Molecular Weight:
311.9305
IUPAC Name:
methyl 3,5-dibromo-2-fluorobenzoate
InChI:
InChI=1S/C8H5Br2FO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3
InChI Key:
OAMPEHQIFCXOLY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1F)Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.862g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.932g/mol
Monoisotopic Mass:
309.864g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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