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146328-85-0 | Benzoic acid, 5-bromo-2-fluoro-
CAS No: 146328-85-0 Catalog No: AG001DW0 MDL No:MFCD00143423
Product Description
Catalog Number:
AG001DW0
Chemical Name:
Benzoic acid, 5-bromo-2-fluoro-
CAS Number:
146328-85-0
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
MDL Number:
MFCD00143423
IUPAC Name:
5-bromo-2-fluorobenzoic acid
InChI:
InChI=1S/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key:
PEXAZYDITWXYNJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)O)F
EC Number:
604-519-9
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.938g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.009g/mol
Monoisotopic Mass:
217.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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