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Home > Boronic Acids > 352359-22-9
352359-22-9 | 1-(TERT-BUTOXYCARBONYL)-6-CHLORO-1H-INDOL-2-YLBORONIC ACID
CAS No: 352359-22-9 Catalog No: AG00C0Y1 MDL No:MFCD08689539
Product Description
Catalog Number:
AG00C0Y1
Chemical Name:
1-(TERT-BUTOXYCARBONYL)-6-CHLORO-1H-INDOL-2-YLBORONIC ACID
CAS Number:
352359-22-9
Molecular Formula:
C13H15BClNO4
Molecular Weight:
295.5265
MDL Number:
MFCD08689539
IUPAC Name:
[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key:
AHUWHEZTYPWOCY-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.526g/mol
Monoisotopic Mass:
295.078g/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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