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Home > Boronic Acids > 1072811-21-2
1072811-21-2 | 4-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indole
CAS No: 1072811-21-2 Catalog No: AG007ATM MDL No:MFCD11858387
Product Description
Catalog Number:
AG007ATM
Chemical Name:
4-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indole
CAS Number:
1072811-21-2
Molecular Formula:
C15H20BNO3
Molecular Weight:
273.1352
MDL Number:
MFCD11858387
IUPAC Name:
4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI:
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)13-9-10-11(17-13)7-6-8-12(10)18-5/h6-9,17H,1-5H3
InChI Key:
IRATVBPKOAAZGS-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc([nH]2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.139g/mol
Monoisotopic Mass:
273.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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