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Home > Boronic Acids > 1014614-07-3
1014614-07-3 | Boronic acid, B-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-
CAS No: 1014614-07-3 Catalog No: AG0004IM MDL No:MFCD16036274
Product Description
Catalog Number:
AG0004IM
Chemical Name:
Boronic acid, B-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-
CAS Number:
1014614-07-3
Molecular Formula:
C8H9BN2O2
Molecular Weight:
175.9803
MDL Number:
MFCD16036274
IUPAC Name:
(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)boronic acid
InChI:
InChI=1S/C8H9BN2O2/c1-5-4-6-7(9(12)13)2-3-10-8(6)11-5/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
BWINJCUMISTMGA-UHFFFAOYSA-N
SMILES:
OB(c1ccnc2c1cc([nH]2)C)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.982g/mol
Monoisotopic Mass:
176.076g/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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