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Home > Boronic Acids > 1111637-70-7
1111637-70-7 | Boronicacid,B-(2,3-dihydro-2-oxo-1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS No: 1111637-70-7 Catalog No: AG009LRM MDL No:MFCD12974879
Product Description
Catalog Number:
AG009LRM
Chemical Name:
Boronicacid,B-(2,3-dihydro-2-oxo-1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS Number:
1111637-70-7
Molecular Formula:
C7H7BN2O3
Molecular Weight:
177.9531
MDL Number:
MFCD12974879
IUPAC Name:
(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl)boronic acid
InChI:
InChI=1S/C7H7BN2O3/c11-6-2-4-1-5(8(12)13)3-9-7(4)10-6/h1,3,12-13H,2H2,(H,9,10,11)
InChI Key:
AUXRTOOHRROMLP-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)cc(cn2)B(O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.954g/mol
Monoisotopic Mass:
178.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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