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651026-99-2 | 2-Bromo-4,6-difluorobenzoic acid
CAS No: 651026-99-2 Catalog No: AG0038K9 MDL No:MFCD23713104
Product Description
Catalog Number:
AG0038K9
Chemical Name:
2-Bromo-4,6-difluorobenzoic acid
CAS Number:
651026-99-2
Molecular Formula:
C7H3BrF2O2
Molecular Weight:
236.9983
MDL Number:
MFCD23713104
IUPAC Name:
2-bromo-4,6-difluorobenzoic acid
InChI:
InChI=1S/C7H3BrF2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
GKYHVDQTGWPNBP-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)Br)C(=O)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.928g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237g/mol
Monoisotopic Mass:
235.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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