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Home > Boronic Acids > 1626336-01-3
1626336-01-3 | {4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl}boronic acid
CAS No: 1626336-01-3 Catalog No: AG00IL0S MDL No:
Product Description
Catalog Number:
AG00IL0S
Chemical Name:
{4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl}boronic acid
CAS Number:
1626336-01-3
Molecular Formula:
C7H6BFN2O2
Molecular Weight:
179.9441
IUPAC Name:
(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)boronic acid
InChI:
InChI=1S/C7H6BFN2O2/c9-6-4-1-2-10-7(4)11-3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key:
OGCGNGUVMZIRGX-UHFFFAOYSA-N
SMILES:
OB(c1cnc2c(c1F)cc[nH]2)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.945g/mol
Monoisotopic Mass:
180.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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