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Home > Boronic Acids > 352359-20-7
352359-20-7 | 1-(tert-Butoxycarbonyl)-3-methyl-1H-indole-2-boronic acid
CAS No: 352359-20-7 Catalog No: AG00I6ZL MDL No:MFCD18427586
Product Description
Catalog Number:
AG00I6ZL
Chemical Name:
1-(tert-Butoxycarbonyl)-3-methyl-1H-indole-2-boronic acid
CAS Number:
352359-20-7
Molecular Formula:
C14H18BNO4
Molecular Weight:
275.1080
MDL Number:
MFCD18427586
IUPAC Name:
[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H18BNO4/c1-9-10-7-5-6-8-11(10)16(12(9)15(18)19)13(17)20-14(2,3)4/h5-8,18-19H,1-4H3
InChI Key:
CAXOMSKZQLWTCB-UHFFFAOYSA-N
SMILES:
OB(c1c(C)c2c(n1C(=O)OC(C)(C)C)cccc2)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.111g/mol
Monoisotopic Mass:
275.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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