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Home > Boronic Acids > 958646-70-3
958646-70-3 | 2-Chloro-6-hydroxyphenylboronic acid
CAS No: 958646-70-3 Catalog No: AG005WYH MDL No:MFCD18393225
Product Description
Catalog Number:
AG005WYH
Chemical Name:
2-Chloro-6-hydroxyphenylboronic acid
CAS Number:
958646-70-3
Molecular Formula:
C6H6BClO3
Molecular Weight:
172.3740
MDL Number:
MFCD18393225
IUPAC Name:
(2-chloro-6-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H6BClO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9-11H
InChI Key:
HPTKHPAGOMESFW-UHFFFAOYSA-N
SMILES:
OB(c1c(O)cccc1Cl)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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