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Home > Boronic Acids > 1132669-91-0
1132669-91-0 | 4-Chloro-2-forMylphenylboronic acid, pinacol ester
CAS No: 1132669-91-0 Catalog No: AG00948Q MDL No:MFCD18731001
Product Description
Catalog Number:
AG00948Q
Chemical Name:
4-Chloro-2-forMylphenylboronic acid, pinacol ester
CAS Number:
1132669-91-0
Molecular Formula:
C13H16BClO3
Molecular Weight:
266.5283
MDL Number:
MFCD18731001
IUPAC Name:
5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI:
InChI=1S/C13H16BClO3/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(15)7-9(11)8-16/h5-8H,1-4H3
InChI Key:
JSGQMZRCRXFFKM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.528g/mol
Monoisotopic Mass:
266.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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