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Home > Boronic Acids > 1238196-66-1
1238196-66-1 | Boronic acid, B-(4-chloro-2-hydroxyphenyl)-
CAS No: 1238196-66-1 Catalog No: AG000L46 MDL No:MFCD18383546
Product Description
Catalog Number:
AG000L46
Chemical Name:
Boronic acid, B-(4-chloro-2-hydroxyphenyl)-
CAS Number:
1238196-66-1
Molecular Formula:
C6H6BClO3
Molecular Weight:
172.3740
MDL Number:
MFCD18383546
IUPAC Name:
(4-chloro-2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H6BClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H
InChI Key:
XBNRJKSGOLRSRX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)O)B(O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.371g/mol
Monoisotopic Mass:
172.01g/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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