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Home > Boronic Acids > 328956-61-2
328956-61-2 | 3-Chloro-5-Fluorophenylboronic Acid
CAS No: 328956-61-2 Catalog No: AG0033O4 MDL No:MFCD06801741
Product Description
Catalog Number:
AG0033O4
Chemical Name:
3-Chloro-5-Fluorophenylboronic Acid
CAS Number:
328956-61-2
Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.3651
MDL Number:
MFCD06801741
IUPAC Name:
(3-chloro-5-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChI Key:
XYQDHVBKUNNLGZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)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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