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Home > Boronic Acids > 1031857-98-3
1031857-98-3 | 4-Borono-3,5-difluorobenzoic acid
CAS No: 1031857-98-3 Catalog No: AG0085Z7 MDL No:MFCD17214253
Product Description
Catalog Number:
AG0085Z7
Chemical Name:
4-Borono-3,5-difluorobenzoic acid
CAS Number:
1031857-98-3
Molecular Formula:
C7H5BF2O4
Molecular Weight:
201.9200
MDL Number:
MFCD17214253
IUPAC Name:
4-borono-3,5-difluorobenzoic acid
InChI:
InChI=1S/C7H5BF2O4/c9-4-1-3(7(11)12)2-5(10)6(4)8(13)14/h1-2,13-14H,(H,11,12)
InChI Key:
QJZJINMQKWVLJB-UHFFFAOYSA-N
SMILES:
OB(c1c(F)cc(cc1F)C(=O)O)O
Properties
Complexity:
214
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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