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Home > Boronic Acids > 313545-32-3
313545-32-3 | 2-CHLORO-6-FLUOROPHENYLBORONIC ACID
CAS No: 313545-32-3 Catalog No: AG00C0C9 MDL No:MFCD04039892
Product Description
Catalog Number:
AG00C0C9
Chemical Name:
2-CHLORO-6-FLUOROPHENYLBORONIC ACID
CAS Number:
313545-32-3
Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.3651
MDL Number:
MFCD04039892
IUPAC Name:
(2-chloro-6-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key:
NXSZSZJWZVLHAY-UHFFFAOYSA-N
SMILES:
OB(c1c(F)cccc1Cl)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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