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Home > Boronic Acids > 1003309-09-8
1003309-09-8 | 4-(2-Oxo-1-pyrrolidinyl)phenylboronic Acid Pinacol Ester
CAS No: 1003309-09-8 Catalog No: AG00J7QQ MDL No:MFCD22415356
Product Description
Catalog Number:
AG00J7QQ
Chemical Name:
4-(2-Oxo-1-pyrrolidinyl)phenylboronic Acid Pinacol Ester
CAS Number:
1003309-09-8
Molecular Formula:
C16H22BNO3
Molecular Weight:
287.1618
MDL Number:
MFCD22415356
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one
InChI:
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-9-13(10-8-12)18-11-5-6-14(18)19/h7-10H,5-6,11H2,1-4H3
InChI Key:
YYSWCEFASKJARU-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.166g/mol
Monoisotopic Mass:
287.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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