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Home > Boronic Acids > 915201-06-8
915201-06-8 | (4-Chloro-3-hydroxyphenyl)boronic acid
CAS No: 915201-06-8 Catalog No: AG003L4V MDL No:MFCD10697413
Product Description
Catalog Number:
AG003L4V
Chemical Name:
(4-Chloro-3-hydroxyphenyl)boronic acid
CAS Number:
915201-06-8
Molecular Formula:
C6H6BClO3
Molecular Weight:
172.3740
MDL Number:
MFCD10697413
IUPAC Name:
(4-chloro-3-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H6BClO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9-11H
InChI Key:
XMMHXKOVZNBHSA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)O)Cl)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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