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Home > Boronic Acids > 913835-81-1
913835-81-1 | 1-(TERT-BUTOXYCARBONYL)-7-METHOXY-1H-INDOL-2-YLBORONIC ACID
CAS No: 913835-81-1 Catalog No: AG00GTD2 MDL No:MFCD08689542
Product Description
Catalog Number:
AG00GTD2
Chemical Name:
1-(TERT-BUTOXYCARBONYL)-7-METHOXY-1H-INDOL-2-YLBORONIC ACID
CAS Number:
913835-81-1
Molecular Formula:
C14H18BNO5
Molecular Weight:
291.1074
MDL Number:
MFCD08689542
IUPAC Name:
[7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11(15(18)19)8-9-6-5-7-10(20-4)12(9)16/h5-8,18-19H,1-4H3
InChI Key:
JYRDIGLHLIDRNE-UHFFFAOYSA-N
SMILES:
COc1cccc2c1n(C(=O)OC(C)(C)C)c(c2)B(O)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.11g/mol
Monoisotopic Mass:
291.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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