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192189-15-4 | 1H-Pyrrolo[3,2-b]pyridine-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS No: 192189-15-4 Catalog No: AG002FPZ MDL No:MFCD16660027
Product Description
Catalog Number:
AG002FPZ
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-1-carboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS Number:
192189-15-4
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
MDL Number:
MFCD16660027
IUPAC Name:
tert-butyl 3-bromopyrrolo[3,2-b]pyridine-1-carboxylate
InChI:
InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-8(13)10-9(15)5-4-6-14-10/h4-7H,1-3H3
InChI Key:
BPXVEVRVYWWTAB-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1cccn2)Br)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:
296.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.152g/mol
Monoisotopic Mass:
296.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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