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Home > Boronic Acids > 476004-82-7
476004-82-7 | N-TIPS indole-3-boronic acid pinacol ester
CAS No: 476004-82-7 Catalog No: AG00DIK7 MDL No:MFCD16659107
Product Description
Catalog Number:
AG00DIK7
Chemical Name:
N-TIPS indole-3-boronic acid pinacol ester
CAS Number:
476004-82-7
Molecular Formula:
C23H38BNO2Si
Molecular Weight:
399.4498
MDL Number:
MFCD16659107
IUPAC Name:
tri(propan-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]silane
InChI:
InChI=1S/C23H38BNO2Si/c1-16(2)28(17(3)4,18(5)6)25-15-20(19-13-11-12-14-21(19)25)24-26-22(7,8)23(9,10)27-24/h11-18H,1-10H3
InChI Key:
MXFFSQNKCJHCKO-UHFFFAOYSA-N
SMILES:
CC([Si](n1cc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C)(C(C)C)C(C)C)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.276g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.457g/mol
Monoisotopic Mass:
399.276g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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