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Home > Boronic Acids > 1242422-55-4
1242422-55-4 | Benzamide, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1242422-55-4 Catalog No: AG000LQS MDL No:MFCD18383526
Product Description
Catalog Number:
AG000LQS
Chemical Name:
Benzamide, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1242422-55-4
Molecular Formula:
C13H17BClNO3
Molecular Weight:
281.5430
MDL Number:
MFCD18383526
IUPAC Name:
4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C13H17BClNO3/c1-12(2)13(3,4)19-14(18-12)9-7-8(11(16)17)5-6-10(9)15/h5-7H,1-4H3,(H2,16,17)
InChI Key:
PPSCAMMTKWUFJL-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.543g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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