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Home > Boronic Acids > 1259022-53-1
1259022-53-1 | methyl 2-(3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
CAS No: 1259022-53-1 Catalog No: AG00HIQY MDL No:
Product Description
Catalog Number:
AG00HIQY
Chemical Name:
methyl 2-(3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
CAS Number:
1259022-53-1
Molecular Formula:
C15H20BClO4
Molecular Weight:
310.5809
IUPAC Name:
methyl 2-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C15H20BClO4/c1-14(2)15(3,4)21-16(20-14)11-7-6-10(8-12(11)17)9-13(18)19-5/h6-8H,9H2,1-5H3
InChI Key:
IDRXUYQTIBOVRI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.581g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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