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Home > Boronic Acids > 1417036-32-8
1417036-32-8 | 1-[2-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one
CAS No: 1417036-32-8 Catalog No: AG00HW63 MDL No:MFCD18732913
Product Description
Catalog Number:
AG00HW63
Chemical Name:
1-[2-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one
CAS Number:
1417036-32-8
Molecular Formula:
C14H18BClO3
Molecular Weight:
280.5549
MDL Number:
MFCD18732913
IUPAC Name:
1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
InChI:
InChI=1S/C14H18BClO3/c1-9(17)11-7-6-10(8-12(11)16)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChI Key:
OJZIJXVVLUQHKL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.555g/mol
Monoisotopic Mass:
280.104g/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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