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Home > Boronic Acids > 1256360-22-1
1256360-22-1 | 5-Methoxy-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS No: 1256360-22-1 Catalog No: AG009IPH MDL No:MFCD15474883
Product Description
Catalog Number:
AG009IPH
Chemical Name:
5-Methoxy-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS Number:
1256360-22-1
Molecular Formula:
C21H31B2NO5
Molecular Weight:
399.0965
MDL Number:
MFCD15474883
IUPAC Name:
5-methoxy-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
InChI:
InChI=1S/C21H31B2NO5/c1-18(2)19(3,4)27-22(26-18)15-12-14(25-9)10-13-11-16(24-17(13)15)23-28-20(5,6)21(7,8)29-23/h10-12,24H,1-9H3
InChI Key:
OEKIATPCAQZJSA-UHFFFAOYSA-N
SMILES:
COc1cc2cc([nH]c2c(c1)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.239g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.101g/mol
Monoisotopic Mass:
399.239g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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