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Home > Boronic Acids > 1111637-95-6
1111637-95-6 | 3-Methyl-7-azaindole-5-boronic acid
CAS No: 1111637-95-6 Catalog No: AG0094QO MDL No:MFCD12923386
Product Description
Catalog Number:
AG0094QO
Chemical Name:
3-Methyl-7-azaindole-5-boronic acid
CAS Number:
1111637-95-6
Molecular Formula:
C14H19BN2O2
Molecular Weight:
258.1239
MDL Number:
MFCD12923386
IUPAC Name:
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H19BN2O2/c1-9-7-16-12-11(9)6-10(8-17-12)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key:
VFFLHDCFYJJJEQ-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c2c1cc(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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