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89540-43-2 | Benzoic acid, 3-(bromofluoromethyl)-
CAS No: 89540-43-2 Catalog No: AG0040JJ MDL No:
Product Description
Catalog Number:
AG0040JJ
Chemical Name:
Benzoic acid, 3-(bromofluoromethyl)-
CAS Number:
89540-43-2
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
IUPAC Name:
3-[bromo(fluoro)methyl]benzoic acid
InChI:
InChI=1S/C8H6BrFO2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7H,(H,11,12)
InChI Key:
JZPULZGSYTVNSN-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)C(=O)O)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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