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Home > Boronic Acids > 731817-89-3
731817-89-3 | Boronic acid, (2-bromo-3-fluorophenyl)-
CAS No: 731817-89-3 Catalog No: AG00IM2F MDL No:MFCD27996941
Product Description
Catalog Number:
AG00IM2F
Chemical Name:
Boronic acid, (2-bromo-3-fluorophenyl)-
CAS Number:
731817-89-3
Molecular Formula:
C6H5BBrFO2
Molecular Weight:
218.8161
MDL Number:
MFCD27996941
IUPAC Name:
(2-bromo-3-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChI Key:
WSTBHBDRGFAJCK-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1Br)F)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.816g/mol
Monoisotopic Mass:
217.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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