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Home > Boronic Acids > 766549-26-2
766549-26-2 | 2-Chloro-4-hydroxyphenylboronic acid
CAS No: 766549-26-2 Catalog No: AG005AK5 MDL No:MFCD02684320
Product Description
Catalog Number:
AG005AK5
Chemical Name:
2-Chloro-4-hydroxyphenylboronic acid
CAS Number:
766549-26-2
Molecular Formula:
C6H6BClO3
Molecular Weight:
172.3740
MDL Number:
MFCD02684320
IUPAC Name:
(2-chloro-4-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H6BClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9-11H
InChI Key:
NRBQMBXPVAUMJY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)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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