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Home > Boronic Acids > 1217500-81-6
1217500-81-6 | Benzoic acid, 5-borono-2,3-difluoro-
CAS No: 1217500-81-6 Catalog No: AG0015QS MDL No:MFCD12546485
Product Description
Catalog Number:
AG0015QS
Chemical Name:
Benzoic acid, 5-borono-2,3-difluoro-
CAS Number:
1217500-81-6
Molecular Formula:
C7H5BF2O4
Molecular Weight:
201.9200
MDL Number:
MFCD12546485
IUPAC Name:
5-borono-2,3-difluorobenzoic acid
InChI:
InChI=1S/C7H5BF2O4/c9-5-2-3(8(13)14)1-4(6(5)10)7(11)12/h1-2,13-14H,(H,11,12)
InChI Key:
LGTXKMKWZQXDKJ-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(c(c1)C(=O)O)F)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.92g/mol
Monoisotopic Mass:
202.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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