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Home > Boronic Acids > 913388-54-2
913388-54-2 | 2-BORONO-5-FORMYL-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No: 913388-54-2 Catalog No: AG006NS1 MDL No:
Product Description
Catalog Number:
AG006NS1
Chemical Name:
2-BORONO-5-FORMYL-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
913388-54-2
Molecular Formula:
C14H16BNO5
Molecular Weight:
289.0915
IUPAC Name:
[5-formyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H16BNO5/c1-14(2,3)21-13(18)16-11-5-4-9(8-17)6-10(11)7-12(16)15(19)20/h4-8,19-20H,1-3H3
InChI Key:
RNWAFVRASZKNCT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.094g/mol
Monoisotopic Mass:
289.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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