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Home > Boronic Acids > 1326715-94-9
1326715-94-9 | 1H-Pyrrolo[2,3-c]pyridine-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
CAS No: 1326715-94-9 Catalog No: AG0010YL MDL No:MFCD13189529
Product Description
Catalog Number:
AG0010YL
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
CAS Number:
1326715-94-9
Molecular Formula:
C12H15BN2O4
Molecular Weight:
262.0695
MDL Number:
MFCD13189529
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-7-9(13(17)18)8-4-5-14-6-10(8)15/h4-7,17-18H,1-3H3
InChI Key:
NSNINLFIEPKJOF-UHFFFAOYSA-N
SMILES:
OB(c1cn(c2c1ccnc2)C(=O)OC(C)(C)C)O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.072g/mol
Monoisotopic Mass:
262.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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