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Home > Boronic Acids > 1003298-72-3
1003298-72-3 | Boronic acid, B-(3-chloro-5-fluoro-4-hydroxyphenyl)-
CAS No: 1003298-72-3 Catalog No: AG0001MB MDL No:MFCD18447589
Product Description
Catalog Number:
AG0001MB
Chemical Name:
Boronic acid, B-(3-chloro-5-fluoro-4-hydroxyphenyl)-
CAS Number:
1003298-72-3
Molecular Formula:
C6H5BClFO3
Molecular Weight:
190.3645
MDL Number:
MFCD18447589
IUPAC Name:
(3-chloro-5-fluoro-4-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10-12H
InChI Key:
WETMDTXTPLMJHT-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(c(c1)Cl)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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