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Home > Boronic Acids > 1394071-85-2
1394071-85-2 | Boronic acid, B-(1-acetyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-
CAS No: 1394071-85-2 Catalog No: AG001AY5 MDL No:
Product Description
Catalog Number:
AG001AY5
Chemical Name:
Boronic acid, B-(1-acetyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-
CAS Number:
1394071-85-2
Molecular Formula:
C9H9BN2O3
Molecular Weight:
203.9904
IUPAC Name:
(1-acetylpyrrolo[2,3-c]pyridin-4-yl)boronic acid
InChI:
InChI=1S/C9H9BN2O3/c1-6(13)12-3-2-7-8(10(14)15)4-11-5-9(7)12/h2-5,14-15H,1H3
InChI Key:
OJXNAYCFRLUIGK-UHFFFAOYSA-N
SMILES:
OB(c1cncc2c1ccn2C(=O)C)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.992g/mol
Monoisotopic Mass:
204.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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