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289039-48-1 | Benzoic acid, 4,5-dibromo-2-fluoro-
CAS No: 289039-48-1 Catalog No: AG002X13 MDL No:MFCD00672987
Product Description
Catalog Number:
AG002X13
Chemical Name:
Benzoic acid, 4,5-dibromo-2-fluoro-
CAS Number:
289039-48-1
Molecular Formula:
C7H3Br2FO2
Molecular Weight:
297.9039
MDL Number:
MFCD00672987
IUPAC Name:
4,5-dibromo-2-fluorobenzoic acid
InChI:
InChI=1S/C7H3Br2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
InChI Key:
WQYCLZJOUMEOCB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1F)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.846g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.905g/mol
Monoisotopic Mass:
295.848g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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