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Home > Boronic Acids > 444666-39-1
444666-39-1 | 2-Chloro-5-fluorobenzeneboronic acid
CAS No: 444666-39-1 Catalog No: AG00D8SH MDL No:MFCD06656272
Product Description
Catalog Number:
AG00D8SH
Chemical Name:
2-Chloro-5-fluorobenzeneboronic acid
CAS Number:
444666-39-1
Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.3651
MDL Number:
MFCD06656272
IUPAC Name:
(2-chloro-5-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H
InChI Key:
OVTZJDSREVDCTJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)Cl
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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