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226085-17-2 | tert-Butyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS No: 226085-17-2 Catalog No: AG003E17 MDL No:MFCD08689737
Product Description
Catalog Number:
AG003E17
Chemical Name:
tert-Butyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS Number:
226085-17-2
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
MDL Number:
MFCD08689737
IUPAC Name:
tert-butyl 3-bromopyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-9(13)8-5-4-6-14-10(8)15/h4-7H,1-3H3
InChI Key:
LRMPSYYFDWATPN-UHFFFAOYSA-N
SMILES:
Brc1cn(c2c1cccn2)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:
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:
3.2
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