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Home > Boronic Acids > 945493-45-8
945493-45-8 | 2-BORONO-5-(METHYLTHIO)-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No: 945493-45-8 Catalog No: AG006A0A MDL No:
Product Description
Catalog Number:
AG006A0A
Chemical Name:
2-BORONO-5-(METHYLTHIO)-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
945493-45-8
Molecular Formula:
C14H18BNO4S
Molecular Weight:
307.1730
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-methylsulfanylindol-2-yl]boronic acid
InChI:
InChI=1S/C14H18BNO4S/c1-14(2,3)20-13(17)16-11-6-5-10(21-4)7-9(11)8-12(16)15(18)19/h5-8,18-19H,1-4H3
InChI Key:
VIWMVPPMSBRELV-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.171g/mol
Monoisotopic Mass:
307.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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