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Home > Boronic Acids > 850568-01-3
850568-01-3 | (2-(Bromomethyl)-4-fluorophenyl)boronic acid
CAS No: 850568-01-3 Catalog No: AG004SIA MDL No:MFCD06659867
Product Description
Catalog Number:
AG004SIA
Chemical Name:
(2-(Bromomethyl)-4-fluorophenyl)boronic acid
CAS Number:
850568-01-3
Molecular Formula:
C7H7BBrFO2
Molecular Weight:
232.8427
MDL Number:
MFCD06659867
IUPAC Name:
[2-(bromomethyl)-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C7H7BBrFO2/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,11-12H,4H2
InChI Key:
SAHGEZUSQVBFDM-UHFFFAOYSA-N
SMILES:
BrCc1cc(F)ccc1B(O)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.843g/mol
Monoisotopic Mass:
231.971g/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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