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Home > Boronic Acids > 1289141-90-7
1289141-90-7 | Boronic acid, B-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS No: 1289141-90-7 Catalog No: AG000YI9 MDL No:
Product Description
Catalog Number:
AG000YI9
Chemical Name:
Boronic acid, B-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS Number:
1289141-90-7
Molecular Formula:
C9H11BN2O2
Molecular Weight:
190.0068
IUPAC Name:
(1-ethylpyrrolo[2,3-b]pyridin-5-yl)boronic acid
InChI:
InChI=1S/C9H11BN2O2/c1-2-12-4-3-7-5-8(10(13)14)6-11-9(7)12/h3-6,13-14H,2H2,1H3
InChI Key:
KKHRKFZWQBPYGY-UHFFFAOYSA-N
SMILES:
CCn1ccc2c1ncc(c2)B(O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.009g/mol
Monoisotopic Mass:
190.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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