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Home > Boronic Acids > 957121-07-2
957121-07-2 | 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
CAS No: 957121-07-2 Catalog No: AG006BL3 MDL No:MFCD09800886
Product Description
Catalog Number:
AG006BL3
Chemical Name:
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
CAS Number:
957121-07-2
Molecular Formula:
C6H5BClFO3
Molecular Weight:
190.3645
MDL Number:
MFCD09800886
IUPAC Name:
(2-chloro-6-fluoro-3-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,10-12H
InChI Key:
MMQMWHTYNPPUMF-UHFFFAOYSA-N
SMILES:
OB(c1c(F)ccc(c1Cl)O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.361g/mol
Monoisotopic Mass:
190g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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