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Home > Boronic Acids > 1221448-69-6
1221448-69-6 | 1H-Indole-1-carboxylic acid, 2,3-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester
CAS No: 1221448-69-6 Catalog No: AG0016UL MDL No:MFCD21609545
Product Description
Catalog Number:
AG0016UL
Chemical Name:
1H-Indole-1-carboxylic acid, 2,3-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester
CAS Number:
1221448-69-6
Molecular Formula:
C22H26BNO4
Molecular Weight:
379.2571
MDL Number:
MFCD21609545
IUPAC Name:
[4-[ethyl(phenylmethoxycarbonyl)amino]phenyl]boronic acid
InChI:
InChI=1S/C16H18BNO4/c1-2-18(15-10-8-14(9-11-15)17(20)21)16(19)22-12-13-6-4-3-5-7-13/h3-11,20-21H,2,12H2,1H3
InChI Key:
ZQSANIXVXNVIRM-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.133g/mol
Monoisotopic Mass:
299.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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