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Home > Aldehydes > 1049676-91-6
1049676-91-6 | 2-tert-butyl-1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS No: 1049676-91-6 Catalog No: AG01F85D MDL No:
Product Description
Catalog Number:
AG01F85D
Chemical Name:
2-tert-butyl-1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS Number:
1049676-91-6
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
2-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C12H14N2O/c1-12(2,3)10-9(7-15)8-5-4-6-13-11(8)14-10/h4-7H,1-3H3,(H,13,14)
InChI Key:
VLMGRJVCDFFENX-UHFFFAOYSA-N
SMILES:
O=Cc1c2cccnc2[nH]c1C(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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