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401797-00-0 | 3,4-Dimethylphenylboronic acid pinacol ester
CAS No: 401797-00-0 Catalog No: AG00C0C1 MDL No:MFCD12405519
Product Description
Catalog Number:
AG00C0C1
Chemical Name:
3,4-Dimethylphenylboronic acid pinacol ester
CAS Number:
401797-00-0
Molecular Formula:
C14H21BO2
Molecular Weight:
232.1263
MDL Number:
MFCD12405519
IUPAC Name:
2-(3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H21BO2/c1-10-7-8-12(9-11(10)2)15-16-13(3,4)14(5,6)17-15/h7-9H,1-6H3
InChI Key:
HWIMTTLCFONAAB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.13g/mol
Monoisotopic Mass:
232.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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