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Home > Boronic Acids > 1260433-36-0
1260433-36-0 | Boronic acid, B-1H-pyrrolo[2,3-b]pyridin-3-yl-
CAS No: 1260433-36-0 Catalog No: AG000QT5 MDL No:
Product Description
Catalog Number:
AG000QT5
Chemical Name:
Boronic acid, B-1H-pyrrolo[2,3-b]pyridin-3-yl-
CAS Number:
1260433-36-0
Molecular Formula:
C7H7BN2O2
Molecular Weight:
161.9537
IUPAC Name:
1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid
InChI:
InChI=1S/C7H7BN2O2/c11-8(12)6-4-10-7-5(6)2-1-3-9-7/h1-4,11-12H,(H,9,10)
InChI Key:
CHTMPRIYDZWHNL-UHFFFAOYSA-N
SMILES:
OB(c1c[nH]c2c1cccn2)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
161.955g/mol
Monoisotopic Mass:
162.06g/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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