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Home > Boronic Acids > 890839-31-3
890839-31-3 | 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoic acid
CAS No: 890839-31-3 Catalog No: AG003ZOV MDL No:MFCD12546621
Product Description
Catalog Number:
AG003ZOV
Chemical Name:
2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoic acid
CAS Number:
890839-31-3
Molecular Formula:
C13H16BClO4
Molecular Weight:
282.5277
MDL Number:
MFCD12546621
IUPAC Name:
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H,16,17)
InChI Key:
MFHUTQFPFZUQCI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.527g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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