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1021919-30-1 | 3H-Imidazo[4,5-b]pyridine-3-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS No: 1021919-30-1 Catalog No: AG0006V8 MDL No:
Product Description
Catalog Number:
AG0006V8
Chemical Name:
3H-Imidazo[4,5-b]pyridine-3-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS Number:
1021919-30-1
Molecular Formula:
C11H12BrN3O2
Molecular Weight:
298.1359
IUPAC Name:
tert-butyl 6-bromoimidazo[4,5-b]pyridine-3-carboxylate
InChI:
InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-6-14-8-4-7(12)5-13-9(8)15/h4-6H,1-3H3
InChI Key:
FWBODCLJYFFCDR-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)ncn2C(=O)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.14g/mol
Monoisotopic Mass:
297.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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