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Home > Boronic Acids > 1111638-03-9
1111638-03-9 | 2-Methyl-7-azaindole-5-boronic acid pinacol ester
CAS No: 1111638-03-9 Catalog No: AG0093XX MDL No:MFCD12923384
Product Description
Catalog Number:
AG0093XX
Chemical Name:
2-Methyl-7-azaindole-5-boronic acid pinacol ester
CAS Number:
1111638-03-9
Molecular Formula:
C14H19BN2O2
Molecular Weight:
258.1239
MDL Number:
MFCD12923384
IUPAC Name:
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H19BN2O2/c1-9-6-10-7-11(8-16-12(10)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key:
KVLJIEMTAFYRLZ-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1)cc(cn2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.128g/mol
Monoisotopic Mass:
258.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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