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1221153-80-5 | Ethanone, 1-[5-chloro-1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS No: 1221153-80-5 Catalog No: AG0016S8 MDL No:MFCD21648252
Product Description
Catalog Number:
AG0016S8
Chemical Name:
Ethanone, 1-[5-chloro-1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS Number:
1221153-80-5
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
MDL Number:
MFCD21648252
IUPAC Name:
1-(5-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)ethanone
InChI:
InChI=1S/C12H13ClN2O/c1-7(2)15-6-10(8(3)16)9-4-12(13)14-5-11(9)15/h4-7H,1-3H3
InChI Key:
XWGABQGCUPGCDF-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)c(cn2C(C)C)C(=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.699g/mol
Monoisotopic Mass:
236.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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