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Home > Bromides > 1393546-06-9
1393546-06-9 | 6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, 3-bromo-5,7-dihydro-, 1,1-dimethylethyl ester
CAS No: 1393546-06-9 Catalog No: AG001ATH MDL No:MFCD22544061
Product Description
Catalog Number:
AG001ATH
Chemical Name:
6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, 3-bromo-5,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1393546-06-9
Molecular Formula:
C12H15BrN2O2
Molecular Weight:
299.1637
MDL Number:
MFCD22544061
IUPAC Name:
tert-butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
InChI:
InChI=1S/C12H15BrN2O2/c1-12(2,3)17-11(16)15-6-8-4-9(13)5-14-10(8)7-15/h4-5H,6-7H2,1-3H3
InChI Key:
XNYFHOLKXKTKIG-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.168g/mol
Monoisotopic Mass:
298.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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