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Home > Boronic Acids > 1027103-15-6
1027103-15-6 | 1-Pyrrolidinecarboxylic acid, 2-(4-boronophenyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1027103-15-6 Catalog No: AG00086I MDL No:MFCD11506305
Product Description
Catalog Number:
AG00086I
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(4-boronophenyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1027103-15-6
Molecular Formula:
C15H22BNO4
Molecular Weight:
291.1505
MDL Number:
MFCD11506305
IUPAC Name:
[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]boronic acid
InChI:
InChI=1S/C15H22BNO4/c1-15(2,3)21-14(18)17-10-4-5-13(17)11-6-8-12(9-7-11)16(19)20/h6-9,13,19-20H,4-5,10H2,1-3H3
InChI Key:
YYBYFRAZYQMGTM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1c1ccc(cc1)B(O)O)OC(C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.164g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.154g/mol
Monoisotopic Mass:
291.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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