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Home > Boronic Acids > 374715-22-7
374715-22-7 | 3-Phenylisoxazole-5-Boronic Acid pinacol ester
CAS No: 374715-22-7 Catalog No: AG00C6PP MDL No:MFCD09878915
Product Description
Catalog Number:
AG00C6PP
Chemical Name:
3-Phenylisoxazole-5-Boronic Acid pinacol ester
CAS Number:
374715-22-7
Molecular Formula:
C15H18BNO3
Molecular Weight:
271.1193
MDL Number:
MFCD09878915
IUPAC Name:
3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
InChI:
InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)13-10-12(17-18-13)11-8-6-5-7-9-11/h5-10H,1-4H3
InChI Key:
ZFUDBXAMQSUYAQ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1onc(c1)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.123g/mol
Monoisotopic Mass:
271.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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