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Home > Boronic Acids > 160591-91-3
160591-91-3 | Boronic acid, B-(4-chloro-2-fluorophenyl)-
CAS No: 160591-91-3 Catalog No: AG001S23 MDL No:MFCD02684293
Product Description
Catalog Number:
AG001S23
Chemical Name:
Boronic acid, B-(4-chloro-2-fluorophenyl)-
CAS Number:
160591-91-3
Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.3651
MDL Number:
MFCD02684293
IUPAC Name:
(4-chloro-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChI Key:
YBNDRTRLXPEWKQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)F)B(O)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:
174.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.362g/mol
Monoisotopic Mass:
174.006g/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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