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Home > Boronic Acids > 1112210-59-9
1112210-59-9 | 3-Chloro-5-hydroxymethylphenylboronic acid, pinacol ester
CAS No: 1112210-59-9 Catalog No: AG00HC4G MDL No:MFCD18374004
Product Description
Catalog Number:
AG00HC4G
Chemical Name:
3-Chloro-5-hydroxymethylphenylboronic acid, pinacol ester
CAS Number:
1112210-59-9
Molecular Formula:
C13H18BClO3
Molecular Weight:
268.5442
MDL Number:
MFCD18374004
IUPAC Name:
[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI:
InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7,16H,8H2,1-4H3
InChI Key:
XGKRASSKANIIOZ-UHFFFAOYSA-N
SMILES:
OCc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.544g/mol
Monoisotopic Mass:
268.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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