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Home > Boronic Acids > 335649-61-1
335649-61-1 | 5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE-2-BORONIC ACID, N-BOC PROTECTED 98
CAS No: 335649-61-1 Catalog No: AG00BYPO MDL No:MFCD08689532
Product Description
Catalog Number:
AG00BYPO
Chemical Name:
5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE-2-BORONIC ACID, N-BOC PROTECTED 98
CAS Number:
335649-61-1
Molecular Formula:
C19H30BNO5Si
Molecular Weight:
391.3417
MDL Number:
MFCD08689532
IUPAC Name:
[5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C19H30BNO5Si/c1-18(2,3)25-17(22)21-15-10-9-14(26-27(7,8)19(4,5)6)11-13(15)12-16(21)20(23)24/h9-12,23-24H,1-8H3
InChI Key:
NXKIUYOUKLIWLP-UHFFFAOYSA-N
SMILES:
O=C(n1c(cc2c1ccc(c2)O[Si](C(C)(C)C)(C)C)B(O)O)OC(C)(C)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.346g/mol
Monoisotopic Mass:
391.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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