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Home > Boronic Acids > 629658-06-6
629658-06-6 | 3-Chloro-4-hydroxyphenylboronic acid,pinacol ester
CAS No: 629658-06-6 Catalog No: AG00375P MDL No:MFCD09260490
Product Description
Catalog Number:
AG00375P
Chemical Name:
3-Chloro-4-hydroxyphenylboronic acid,pinacol ester
CAS Number:
629658-06-6
Molecular Formula:
C12H16BClO3
Molecular Weight:
254.5176
MDL Number:
MFCD09260490
IUPAC Name:
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7,15H,1-4H3
InChI Key:
HBKJZGOCTNRSHF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.517g/mol
Monoisotopic Mass:
254.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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