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Home > Boronic Acids > 849062-22-2
849062-22-2 | (3-Fluorostyryl)boronic acid
CAS No: 849062-22-2 Catalog No: AG004PUQ MDL No:MFCD06008297
Product Description
Catalog Number:
AG004PUQ
Chemical Name:
(3-Fluorostyryl)boronic acid
CAS Number:
849062-22-2
Molecular Formula:
C8H8BFO2
Molecular Weight:
165.9573
MDL Number:
MFCD06008297
IUPAC Name:
[(E)-2-(3-fluorophenyl)ethenyl]boronic acid
InChI:
InChI=1S/C8H8BFO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,11-12H/b5-4+
InChI Key:
ONXKUGHKGCSZJO-SNAWJCMRSA-N
SMILES:
OB(/C=C/c1cccc(c1)F)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
166.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.958g/mol
Monoisotopic Mass:
166.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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