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183065-68-1 | Benzoic acid, 4-bromo-2,6-difluoro-
CAS No: 183065-68-1 Catalog No: AG0024D6 MDL No:MFCD03094085
Product Description
Catalog Number:
AG0024D6
Chemical Name:
Benzoic acid, 4-bromo-2,6-difluoro-
CAS Number:
183065-68-1
Molecular Formula:
C7H3BrF2O2
Molecular Weight:
236.9983
MDL Number:
MFCD03094085
IUPAC Name:
4-bromo-2,6-difluorobenzoic acid
InChI:
InChI=1S/C7H3BrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key:
IRHPJGPQWZEZRX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cc(cc1F)Br
Properties
Complexity:
176
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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